| SpectraBase Spectrum ID |
2kUowmnt0Xg |
| Name |
Fluconazole |
| CAS Registry Number |
86386-73-4 |
| Classification |
Fungicide |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
306.104065355 u |
| Formula |
C13H12F2N6O |
| InChI |
InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 |
| InChIKey |
RFHAOTPXVQNOHP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
306.277 g/mol |
| Nominal Mass |
306 u |
| Quality |
924 |
| Retention Index |
2669 |
| SMILES |
OC(C1=C(C=C(C=C1)F)F)(CN1N=CN=C1)CN1N=CN=C1 |
| SPLASH |
splash10-00gi-8980000000-eee4e4ae2a9e78bec920 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2,4-Difluoro-2,2-bis(1H-1,2,4-triazol-1-ylmethyl)benzylalkohol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001431 |
