| SpectraBase Compound ID | 8qBcf8Wie7J |
|---|---|
| InChI | InChI=1S/C10H9ClN2OS/c11-6-5-9(14)13-10-12-7-3-1-2-4-8(7)15-10/h1-4H,5-6H2,(H,12,13,14) |
| InChIKey | BDRXIJMJSBTEBN-UHFFFAOYSA-N |
| Mol Weight | 240.71 g/mol |
| Molecular Formula | C10H9ClN2OS |
| Exact Mass | 240.012412 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ii3ZZrsKCPQ |
|---|---|
| Name | N-(1,3-Benzothiazol-2-yl)-3-chloropropanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.012411791 u |
| Formula | C10H9ClN2OS |
| InChI | InChI=1S/C10H9ClN2OS/c11-6-5-9(14)13-10-12-7-3-1-2-4-8(7)15-10/h1-4H,5-6H2,(H,12,13,14) |
| InChIKey | BDRXIJMJSBTEBN-UHFFFAOYSA-N |
| Molecular Weight | 240.708 g/mol |
| SMILES | C1=2SC(=NC2C=CC=C1)NC(=O)CCCl |