| SpectraBase Compound ID | ERuASmsc9Fi |
|---|---|
| InChI | InChI=1S/C10H13NO4S/c1-8-2-4-9(5-3-8)16(14,15)11-7-6-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13) |
| InChIKey | PPDKUGSOVUQARL-UHFFFAOYSA-N |
| Mol Weight | 243.28 g/mol |
| Molecular Formula | C10H13NO4S |
| Exact Mass | 243.056529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 32vsYLM7Lc1 |
|---|---|
| Name | Propionic acid, 3-(4-tolylsulfonylamido)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.056529073 u |
| Formula | C10H13NO4S |
| InChI | InChI=1S/C10H13NO4S/c1-8-2-4-9(5-3-8)16(14,15)11-7-6-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13) |
| InChIKey | PPDKUGSOVUQARL-UHFFFAOYSA-N |
| Molecular Weight | 243.277 g/mol |
| SMILES | CC1=CC=C(S(NCCC(=O)O)(=O)=O)C=C1 |