| SpectraBase Compound ID | KxRstFLwKe3 |
|---|---|
| InChI | InChI=1S/C13H12ClNO3S/c1-2-3-7-18-11(16)8-15-12-9(14)5-4-6-10(12)19-13(15)17/h2-6H,7-8H2,1H3/b3-2+ |
| InChIKey | ZOYADBHONYLLTF-NSCUHMNNSA-N |
| Mol Weight | 297.76 g/mol |
| Molecular Formula | C13H12ClNO3S |
| Exact Mass | 297.022642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HPtTIYsizBQ |
|---|---|
| Name | 2-Butenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.022642121 u |
| Formula | C13H12ClNO3S |
| InChI | InChI=1S/C13H12ClNO3S/c1-2-3-7-18-11(16)8-15-12-9(14)5-4-6-10(12)19-13(15)17/h2-6H,7-8H2,1H3/b3-2+ |
| InChIKey | ZOYADBHONYLLTF-NSCUHMNNSA-N |
| Molecular Weight | 297.756 g/mol |
| SMILES | C(N1C2=C(C=CC=C2SC1=O)Cl)C(OC\C=C\C)=O |