![3-[p-Chlorophenylsulfonyl]propionic acid](/api/spectrum/Ib446YyOfRK/structure.png?h=300&w=458 "3-[p-Chlorophenylsulfonyl]propionic acid")
| SpectraBase Compound ID | 6kOKU9zM8cb |
|---|---|
| InChI | InChI=1S/C9H9ClO4S/c10-7-1-3-8(4-2-7)15(13,14)6-5-9(11)12/h1-4H,5-6H2,(H,11,12) |
| InChIKey | ZEYRBFCQZXZIQU-UHFFFAOYSA-N |
| Mol Weight | 248.68 g/mol |
| Molecular Formula | C9H9ClO4S |
| Exact Mass | 247.991008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Ib446YyOfRK |
|---|---|
| Name | 3-[p-Chlorophenylsulfonyl]propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.991007640 u |
| Formula | C9H9ClO4S |
| InChI | InChI=1S/C9H9ClO4S/c10-7-1-3-8(4-2-7)15(13,14)6-5-9(11)12/h1-4H,5-6H2,(H,11,12) |
| InChIKey | ZEYRBFCQZXZIQU-UHFFFAOYSA-N |
| Molecular Weight | 248.680 g/mol |
| SMILES | C1=CC(S(CCC(=O)O)(=O)=O)=CC=C1Cl |