| SpectraBase Spectrum ID |
B4Ga8nAmyfY |
| Name |
Isoconazole |
| CAS Registry Number |
27523-40-6 |
| Classification |
Pharmaceutical drug, antimycotic, antibacterial |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
413.986023878 u |
| Formula |
C18H14Cl4N2O |
| InChI |
InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2 |
| InChIKey |
MPIPASJGOJYODL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
416.135 g/mol |
| Nominal Mass |
414 u |
| Quality |
995 |
| Retention Index |
2976 |
| SMILES |
C=1(C(CN2C=NC=C2)OCC2=C(C=CC=C2Cl)Cl)C(=CC(=CC1)Cl)Cl |
| SPLASH |
splash10-0bt9-1901000000-b7c9a15e8039f9a35a41 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-[2,4-Dichloro-beta-(2,6-dichlorobenzyloxy)phenethyl]imidazole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_012108 |
