| SpectraBase Compound ID | IWxtmU7xrlQ |
|---|---|
| InChI | InChI=1S/C14H9NO5S/c16-13-11-8-4-5-9-12(11)21(18,19)15(13)14(17)20-10-6-2-1-3-7-10/h1-9H |
| InChIKey | RIONGRJJGYJGNO-UHFFFAOYSA-N |
| Mol Weight | 303.29 g/mol |
| Molecular Formula | C14H9NO5S |
| Exact Mass | 303.020144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BAl2O0Ja7Qs |
|---|---|
| Name | 1,2-Benzisothiazole-2(3H)-carboxylic acid, 3-oxo-, phenyl ester, 1,1-dioxide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.020143563 u |
| Formula | C14H9NO5S |
| InChI | InChI=1S/C14H9NO5S/c16-13-11-8-4-5-9-12(11)21(18,19)15(13)14(17)20-10-6-2-1-3-7-10/h1-9H |
| InChIKey | RIONGRJJGYJGNO-UHFFFAOYSA-N |
| SMILES | C1(N(S(C=2C=CC=CC12)(=O)=O)C(OC1=CC=CC=C1)=O)=O |