| SpectraBase Compound ID | A3OyA0aujEG |
|---|---|
| InChI | InChI=1S/C9H13NO2S/c1-3-13(11,12)10-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3 |
| InChIKey | CTMGRXPSUBOAPL-UHFFFAOYSA-N |
| Mol Weight | 199.27 g/mol |
| Molecular Formula | C9H13NO2S |
| Exact Mass | 199.0667 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IFSSnW7e7ku |
|---|---|
| Name | Ethanesulfono-p-toluidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.066699835 u |
| Formula | C9H13NO2S |
| InChI | InChI=1S/C9H13NO2S/c1-3-13(11,12)10-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3 |
| InChIKey | CTMGRXPSUBOAPL-UHFFFAOYSA-N |
| Molecular Weight | 199.268 g/mol |
| SMILES | N(C=1C=CC(=CC1)C)S(=O)(=O)CC |