| SpectraBase Compound ID | 2DTvF6zB3Ab |
|---|---|
| InChI | InChI=1S/C13H19NO4S/c15-13(16)10-6-1-2-7-11-14-19(17,18)12-8-4-3-5-9-12/h3-5,8-9,14H,1-2,6-7,10-11H2,(H,15,16) |
| InChIKey | VYASIDRVJHKUNA-UHFFFAOYSA-N |
| Mol Weight | 285.36 g/mol |
| Molecular Formula | C13H19NO4S |
| Exact Mass | 285.103479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BDeqsypa0tq |
|---|---|
| Name | 7-Benzenesulfonamidoheptanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.103479266 u |
| Formula | C13H19NO4S |
| InChI | InChI=1S/C13H19NO4S/c15-13(16)10-6-1-2-7-11-14-19(17,18)12-8-4-3-5-9-12/h3-5,8-9,14H,1-2,6-7,10-11H2,(H,15,16) |
| InChIKey | VYASIDRVJHKUNA-UHFFFAOYSA-N |
| SMILES | C=1C=CC(S(=O)(=O)NCCCCCCC(=O)O)=CC1 |