| SpectraBase Compound ID | gAsnj75aDo |
|---|---|
| InChI | InChI=1S/C11H11NO5S/c1-2-17-10(13)7-12-11(14)8-5-3-4-6-9(8)18(12,15)16/h3-6H,2,7H2,1H3 |
| InChIKey | YKCQHUPTHHPHGX-UHFFFAOYSA-N |
| Mol Weight | 269.27 g/mol |
| Molecular Formula | C11H11NO5S |
| Exact Mass | 269.035794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Xa1vSimOad |
|---|---|
| Name | 3-oxo-1,2-Benzisothiazolin-2-acetic acid, ethyl ester, 1,1-dioxide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.035793627 u |
| Formula | C11H11NO5S |
| InChI | InChI=1S/C11H11NO5S/c1-2-17-10(13)7-12-11(14)8-5-3-4-6-9(8)18(12,15)16/h3-6H,2,7H2,1H3 |
| InChIKey | YKCQHUPTHHPHGX-UHFFFAOYSA-N |
| SMILES | C=12C=CC=CC1S(N(C2=O)CC(OCC)=O)(=O)=O |