| SpectraBase Compound ID | 3ExP0ITHSrG |
|---|---|
| InChI | InChI=1S/C24H20Cl2N2OS/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20/h1-14,17,24H,15-16H2 |
| InChIKey | ZCJYUTQZBAIHBS-UHFFFAOYSA-N |
| Mol Weight | 455.4 g/mol |
| Molecular Formula | C24H20Cl2N2OS |
| Exact Mass | 454.06734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwrdsGQTFz3 |
|---|---|
| Name | Fenticonazol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 454.067339845 u |
| Formula | C24H20Cl2N2OS |
| InChI | InChI=1S/C24H20Cl2N2OS/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20/h1-14,17,24H,15-16H2 |
| InChIKey | ZCJYUTQZBAIHBS-UHFFFAOYSA-N |
| Molecular Weight | 455.403 g/mol |
| SMILES | C=1(C(=CC(=CC1)Cl)Cl)C(CN1C=NC=C1)OCC1=CC=C(SC2=CC=CC=C2)C=C1 |