| SpectraBase Spectrum ID |
A3PCMGJSHC7 |
| Name |
2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978408 |
![2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid](/api/spectrum/A3PCMGJSHC7/structure.png?h=300&w=458 "2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid")
