| SpectraBase Compound ID | IUMJCwTdWZP |
|---|---|
| InChI | InChI=1S/C9H7ClN2OS/c1-5(13)11-9-12-7-3-2-6(10)4-8(7)14-9/h2-4H,1H3,(H,11,12,13) |
| InChIKey | BCQXILHHRAEBLY-UHFFFAOYSA-N |
| Mol Weight | 226.68 g/mol |
| Molecular Formula | C9H7ClN2OS |
| Exact Mass | 225.996762 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KeNeW2XkpOZ |
|---|---|
| Name | N-(6-Chloro-1,3-benzothiazol-2-yl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.996761726 u |
| Formula | C9H7ClN2OS |
| InChI | InChI=1S/C9H7ClN2OS/c1-5(13)11-9-12-7-3-2-6(10)4-8(7)14-9/h2-4H,1H3,(H,11,12,13) |
| InChIKey | BCQXILHHRAEBLY-UHFFFAOYSA-N |
| Molecular Weight | 226.681 g/mol |
| SMILES | C1=2SC(=NC2C=CC(=C1)Cl)NC(=O)C |