| SpectraBase Compound ID | 6GKVK9RBuW1 |
|---|---|
| InChI | InChI=1S/C10H5Cl2FN2OS/c11-7-8(15-17-9(7)12)10(16)14-6-3-1-5(13)2-4-6/h1-4H,(H,14,16) |
| InChIKey | GNZYHWLPACASRA-UHFFFAOYSA-N |
| Mol Weight | 291.13 g/mol |
| Molecular Formula | C10H5Cl2FN2OS |
| Exact Mass | 289.948368 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ETq0TAURI16 |
|---|---|
| Name | 3-Isothiazolecarboxamide, 4,5-dichloro-N-(4-fluorophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.948367525 u |
| Formula | C10H5Cl2FN2OS |
| InChI | InChI=1S/C10H5Cl2FN2OS/c11-7-8(15-17-9(7)12)10(16)14-6-3-1-5(13)2-4-6/h1-4H,(H,14,16) |
| InChIKey | GNZYHWLPACASRA-UHFFFAOYSA-N |
| Molecular Weight | 291.127 g/mol |
| SMILES | N(C(C=1C(=C(Cl)SN1)Cl)=O)C=1C=CC(=CC1)F |