![2-Chloro-5-[(4-methoxyanilino)sulfonyl]benzoic acid](/api/spectrum/IsXF8hLlphN/structure.png?h=300&w=458 "2-Chloro-5-[(4-methoxyanilino)sulfonyl]benzoic acid")
| SpectraBase Compound ID | IqpJBTVWseE |
|---|---|
| InChI | InChI=1S/C14H12ClNO5S/c1-21-10-4-2-9(3-5-10)16-22(19,20)11-6-7-13(15)12(8-11)14(17)18/h2-8,16H,1H3,(H,17,18) |
| InChIKey | WQVGFKAYHAUMLS-UHFFFAOYSA-N |
| Mol Weight | 341.77 g/mol |
| Molecular Formula | C14H12ClNO5S |
| Exact Mass | 341.012471 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IsXF8hLlphN |
|---|---|
| Name | 2-Chloro-5-[(4-methoxyanilino)sulfonyl]benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.012471359 u |
| Formula | C14H12ClNO5S |
| InChI | InChI=1S/C14H12ClNO5S/c1-21-10-4-2-9(3-5-10)16-22(19,20)11-6-7-13(15)12(8-11)14(17)18/h2-8,16H,1H3,(H,17,18) |
| InChIKey | WQVGFKAYHAUMLS-UHFFFAOYSA-N |
| Molecular Weight | 341.765 g/mol |
| SMILES | N(S(C1=CC(C(=O)O)=C(C=C1)Cl)(=O)=O)C1=CC=C(C=C1)OC |