| SpectraBase Compound ID | 5uQR2Y8CC0 |
|---|---|
| InChI | InChI=1S/C13H13NO3S/c1-2-3-8-17-12(15)9-14-10-6-4-5-7-11(10)18-13(14)16/h2-7H,8-9H2,1H3/b3-2+ |
| InChIKey | DXJXLICXHFQKIS-NSCUHMNNSA-N |
| Mol Weight | 263.31 g/mol |
| Molecular Formula | C13H13NO3S |
| Exact Mass | 263.061614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6tNJGbGABsP |
|---|---|
| Name | 2-Butenyl (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 | 263.061614454 u |
| Formula | C13H13NO3S |
| InChI | InChI=1S/C13H13NO3S/c1-2-3-8-17-12(15)9-14-10-6-4-5-7-11(10)18-13(14)16/h2-7H,8-9H2,1H3/b3-2+ |
| InChIKey | DXJXLICXHFQKIS-NSCUHMNNSA-N |
| SMILES | C(N1C2=CC=CC=C2SC1=O)C(OC\C=C\C)=O |