![3-[(4-Fluorophenyl)sulfonyl]propanoic acid](/api/spectrum/BHuGhPyb1L3/structure.png?h=300&w=458 "3-[(4-Fluorophenyl)sulfonyl]propanoic acid")
| SpectraBase Compound ID | IJ5X0PgyFJY |
|---|---|
| InChI | InChI=1S/C9H9FO4S/c10-7-1-3-8(4-2-7)15(13,14)6-5-9(11)12/h1-4H,5-6H2,(H,11,12) |
| InChIKey | AUOJGJQMJQUYSP-UHFFFAOYSA-N |
| Mol Weight | 232.23 g/mol |
| Molecular Formula | C9H9FO4S |
| Exact Mass | 232.020558 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BHuGhPyb1L3 |
|---|---|
| Name | 3-[(4-Fluorophenyl)sulfonyl]propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.020558103 u |
| Formula | C9H9FO4S |
| InChI | InChI=1S/C9H9FO4S/c10-7-1-3-8(4-2-7)15(13,14)6-5-9(11)12/h1-4H,5-6H2,(H,11,12) |
| InChIKey | AUOJGJQMJQUYSP-UHFFFAOYSA-N |
| Molecular Weight | 232.225 g/mol |
| SMILES | C(CCS(=O)(=O)C1=CC=C(C=C1)F)(=O)O |