| SpectraBase Compound ID | EyVmCTtjDpr |
|---|---|
| InChI | InChI=1S/C39H52F3N5O9S/c1-38(2,3)56-37(49)33(47-57(50,51)31-10-4-8-29(25-31)39(40,41)42)24-27-11-14-34(55-17-6-9-30-13-12-28-7-5-16-44-36(28)45-30)32(23-27)46-35(48)26-54-22-21-53-20-19-52-18-15-43/h4,8,10-14,23,25,33,47H,5-7,9,15-22,24,26,43H2,1-3H3,(H,44,45)(H,46,48)/t33-/m0/s1 |
| InChIKey | DBSAVOOTMHCPMP-XIFFEERXSA-N |
| Mol Weight | 823.9 g/mol |
| Molecular Formula | C39H52F3N5O9S |
| Exact Mass | 823.343784 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K7UhMrsPkMK |
|---|---|
| Name | DBSAVOOTMHCPMP-XIFFEERXSA-N |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H52F3N5O9S |
| InChI | InChI=1S/C39H52F3N5O9S/c1-38(2,3)56-37(49)33(47-57(50,51)31-10-4-8-29(25-31)39(40,41)42)24-27-11-14-34(55-17-6-9-30-13-12-28-7-5-16-44-36(28)45-30)32(23-27)46-35(48)26-54-22-21-53-20-19-52-18-15-43/h4,8,10-14,23,25,33,47H,5-7,9,15-22,24,26,43H2,1-3H3,(H,44,45)(H,46,48)/t33-/m0/s1 |
| InChIKey | DBSAVOOTMHCPMP-XIFFEERXSA-N |
| Literature Reference Author | B.DRIESSCHAERT,P.LEVEQUE,B.GALLEZ,J.MARCHAND-BRYNAERT |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2014,8077(2014) |
| Literature Reference DOI | 10.1002/ejoc.201403049 |
| Molecular Weight | 823.925 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR20093 |