| SpectraBase Compound ID | FcdMuzKBepw |
|---|---|
| InChI | InChI=1S/C11H11NO3S/c1-2-15-10(13)7-12-8-5-3-4-6-9(8)16-11(12)14/h3-6H,2,7H2,1H3 |
| InChIKey | QKPHEMXJJWXMRK-UHFFFAOYSA-N |
| Mol Weight | 237.27 g/mol |
| Molecular Formula | C11H11NO3S |
| Exact Mass | 237.045964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16z9JsHBM9T |
|---|---|
| Name | Ethyl (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 | 237.045964389 u |
| Formula | C11H11NO3S |
| InChI | InChI=1S/C11H11NO3S/c1-2-15-10(13)7-12-8-5-3-4-6-9(8)16-11(12)14/h3-6H,2,7H2,1H3 |
| InChIKey | QKPHEMXJJWXMRK-UHFFFAOYSA-N |
| Molecular Weight | 237.273 g/mol |
| SMILES | CCOC(CN1C(SC2=C1C=CC=C2)=O)=O |