![[6-(2,3-DI-O-BENZYL-1-ETHYLTHIO-BETA-D-GLUCOPYRANOS-6-YL)-6-OXOHEXYL]-1-METHYL-1H-IMIDAZOL-3-IUM-HEXAFLUOROPHOSPHATE](/api/spectrum/GeThBGH6VrC/structure.png?h=300&w=458 "[6-(2,3-DI-O-BENZYL-1-ETHYLTHIO-BETA-D-GLUCOPYRANOS-6-YL)-6-OXOHEXYL]-1-METHYL-1H-IMIDAZOL-3-IUM-HEXAFLUOROPHOSPHATE")
| SpectraBase Compound ID | E9vlFqaW1Q9 |
|---|---|
| InChI | InChI=1S/C32H43N2O6S.F6P/c1-3-41-32-31(39-22-26-15-9-5-10-16-26)30(38-21-25-13-7-4-8-14-25)29(36)27(40-32)23-37-28(35)17-11-6-12-18-34-20-19-33(2)24-34;1-7(2,3,4,5)6/h4-5,7-10,13-16,19-20,24,27,29-32,36H,3,6,11-12,17-18,21-23H2,1-2H3;/q+1;-1/t27-,29-,30+,31-,32+;/m0./s1 |
| InChIKey | HWXKIDRCAAXBLE-HOEKKOHWSA-N |
| Mol Weight | 728.7 g/mol |
| Molecular Formula | C32H43F6N2O6PS |
| Exact Mass | 728.248364 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GeThBGH6VrC |
|---|---|
| Name | [6-(2,3-DI-O-BENZYL-1-ETHYLTHIO-BETA-D-GLUCOPYRANOS-6-YL)-6-OXOHEXYL]-1-METHYL-1H-IMIDAZOL-3-IUM-HEXAFLUOROPHOSPHATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H43F6N2O6PS |
| InChI | InChI=1S/C32H43N2O6S.F6P/c1-3-41-32-31(39-22-26-15-9-5-10-16-26)30(38-21-25-13-7-4-8-14-25)29(36)27(40-32)23-37-28(35)17-11-6-12-18-34-20-19-33(2)24-34;1-7(2,3,4,5)6/h4-5,7-10,13-16,19-20,24,27,29-32,36H,3,6,11-12,17-18,21-23H2,1-2H3;/q+1;-1/t27-,29-,30+,31-,32+;/m0./s1 |
| InChIKey | HWXKIDRCAAXBLE-HOEKKOHWSA-N |
| Literature Reference Author | M.PEPIN,M.HUBERT-ROUX,C.MARTIN,F.GUILLEN,C.LANGE,G.GOUHIER |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2010,6366(2010) |
| Literature Reference DOI | 10.1002/ejoc.201000754 |
| Solvent | CDCl3 |
| Source File Reference | UWLU85732 |