| SpectraBase Compound ID | GBl7LczVuLo |
|---|---|
| InChI | InChI=1S/C16H11ClN2OS/c17-12-6-2-1-5-11(12)9-10-15(20)19-16-18-13-7-3-4-8-14(13)21-16/h1-10H,(H,18,19,20)/b10-9+ |
| InChIKey | VGIVCRUFTFAVRO-MDZDMXLPSA-N |
| Mol Weight | 314.79 g/mol |
| Molecular Formula | C16H11ClN2OS |
| Exact Mass | 314.028062 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5VSiUzfJpCR |
|---|---|
| Name | (2E)-N-(1,3-Benzothiazol-2-yl)-3-(2-chlorophenyl)-2-propenamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.028061855 u |
| Formula | C16H11ClN2OS |
| InChI | InChI=1S/C16H11ClN2OS/c17-12-6-2-1-5-11(12)9-10-15(20)19-16-18-13-7-3-4-8-14(13)21-16/h1-10H,(H,18,19,20)/b10-9+ |
| InChIKey | VGIVCRUFTFAVRO-MDZDMXLPSA-N |
| SMILES | N(C1=NC=2C=CC=CC2S1)C(\C=C\C=1C(Cl)=CC=CC1)=O |