| SpectraBase Compound ID | 4OACNBryszT |
|---|---|
| InChI | InChI=1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3 |
| InChIKey | DWRKFAJEBUWTQM-UHFFFAOYSA-N |
| Mol Weight | 328.2 g/mol |
| Molecular Formula | C14H15Cl2N3O2 |
| Exact Mass | 327.054132 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2iRhAguZc9f |
|---|---|
| Name | Etaconazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.054132133 u |
| Formula | C14H15Cl2N3O2 |
| InChI | InChI=1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3 |
| InChIKey | DWRKFAJEBUWTQM-UHFFFAOYSA-N |
| Molecular Weight | 328.199 g/mol |
| SMILES | C1(=C(C=C(C=C1)Cl)Cl)C1(OC(CO1)CC)CN1C=NC=N1 |