![2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid](/api/spectrum/3z7qATTS6ve/structure.png?h=300&w=458 "2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid")
| SpectraBase Compound ID | 6ZVbHzkZUZi |
|---|---|
| InChI | InChI=1S/C10H9ClO3S/c11-8-3-1-7(2-4-8)9(12)5-15-6-10(13)14/h1-4H,5-6H2,(H,13,14) |
| InChIKey | JIYHIZUYCBNBNM-UHFFFAOYSA-N |
| Mol Weight | 244.69 g/mol |
| Molecular Formula | C10H9ClO3S |
| Exact Mass | 243.996093 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3z7qATTS6ve |
|---|---|
| Name | 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.996093021 u |
| Formula | C10H9ClO3S |
| InChI | InChI=1S/C10H9ClO3S/c11-8-3-1-7(2-4-8)9(12)5-15-6-10(13)14/h1-4H,5-6H2,(H,13,14) |
| InChIKey | JIYHIZUYCBNBNM-UHFFFAOYSA-N |
| Molecular Weight | 244.692 g/mol |
| SMILES | C(CSCC(O)=O)(=O)C1=CC=C(C=C1)Cl |