| SpectraBase Compound ID | 7KfOnk1o5bE |
|---|---|
| InChI | InChI=1S/C9H7NO3S/c11-8(12)5-10-9(13)6-3-1-2-4-7(6)14-10/h1-4H,5H2,(H,11,12) |
| InChIKey | JNNXIBWXEGAIMV-UHFFFAOYSA-N |
| Mol Weight | 209.22 g/mol |
| Molecular Formula | C9H7NO3S |
| Exact Mass | 209.014664 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5PnQvI3pPTb |
|---|---|
| Name | (3-oxo-1,2-Benzothiazol-2-yl)acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.014664260 u |
| Formula | C9H7NO3S |
| InChI | InChI=1S/C9H7NO3S/c11-8(12)5-10-9(13)6-3-1-2-4-7(6)14-10/h1-4H,5H2,(H,11,12) |
| InChIKey | JNNXIBWXEGAIMV-UHFFFAOYSA-N |
| Molecular Weight | 209.219 g/mol |
| SMILES | C1=C2C(=CC=C1)C(=O)N(S2)CC(O)=O |