| SpectraBase Spectrum ID |
8GfNlEU6zaa |
| Name |
Fluconazole-M (OH) AC |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
406.120109341 u |
| Formula |
C17H16F2N6O4 |
| InChI |
InChI=1S/C17H16F2N6O4/c1-11(26)28-16-14(18)4-3-13(15(16)19)17(29-12(2)27,5-24-9-20-7-22-24)6-25-10-21-8-23-25/h3-4,7-10H,5-6H2,1-2H3 |
| InChIKey |
CTQMVLHDDUBQOA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
406.350 g/mol |
| Nominal Mass |
406 u |
| Quality |
923 |
| Retention Index |
3371 |
| SMILES |
C(C1=C(C(=C(C=C1)F)OC(=O)C)F)(CN1N=CN=C1)(CN1N=CN=C1)OC(=O)C |
| SPLASH |
splash10-0089-3960000000-8b82cdb1146c94ecd384 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(3-(acetyloxy)-2,4-difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propan-2-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001434 |
