| SpectraBase Compound ID | 56xoGvDlGSW |
|---|---|
| InChI | InChI=1S/C39H41F3N2O9/c1-24(45)52-34(20-26-13-16-29(17-14-26)51-23-27-11-7-4-8-12-27)35(46)43-31(19-25-9-5-3-6-10-25)36(47)44-32-22-30(53-38(49)39(40,41)42)18-15-28(32)21-33(44)37(48)50-2/h3-14,16-17,28,30-34H,15,18-23H2,1-2H3,(H,43,46)/t28-,30+,31-,32-,33-,34+/m0/s1 |
| InChIKey | BWGNAETVKBMNAZ-RYBGGNMSSA-N |
| Mol Weight | 738.8 g/mol |
| Molecular Formula | C39H41F3N2O9 |
| Exact Mass | 738.276415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6wsfxjwVBCb |
|---|---|
| Name | TRANS-ROTAMER |
| Compound Number | 9B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H41F3N2O9 |
| InChI | InChI=1S/C39H41F3N2O9/c1-24(45)52-34(20-26-13-16-29(17-14-26)51-23-27-11-7-4-8-12-27)35(46)43-31(19-25-9-5-3-6-10-25)36(47)44-32-22-30(53-38(49)39(40,41)42)18-15-28(32)21-33(44)37(48)50-2/h3-14,16-17,28,30-34H,15,18-23H2,1-2H3,(H,43,46)/t28-,30+,31-,32-,33-,34+/m0/s1 |
| InChIKey | BWGNAETVKBMNAZ-RYBGGNMSSA-N |
| Literature Reference Author | N.VALLS,M.VALLRIBERA,M.LOPEZ-CANET,J.BONJOCH |
| Literature Reference Citation | J.ORG.CHEM.,67,4945(2002) |
| Literature Reference DOI | 10.1021/jo025709y |
| Molecular Weight | 738.758 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN23394 |