| SpectraBase Spectrum ID |
54BHb2oxtI |
| Name |
Isoconazole |
| CAS Registry Number |
27523-40-6 |
| Classification |
Antimycotic |
| Copyright |
Copyright © 2023-2025 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 |
| SMILES |
c1[n](cnc1)CC(OCc1c(cccc1Cl)Cl)c1ccc(cc1Cl)Cl |
| SPLASH |
splash10-0bt9-1902000000-a1c930b5f2527fd337e5 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: U+UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_2055 |
