| SpectraBase Compound ID | 8Qjbm7EP7oX |
|---|---|
| InChI | InChI=1S/C8H6Cl2OS/c1-5(11)12-8-4-6(9)2-3-7(8)10/h2-4H,1H3 |
| InChIKey | YIYJGRSRDWYECA-UHFFFAOYSA-N |
| Mol Weight | 221.1 g/mol |
| Molecular Formula | C8H6Cl2OS |
| Exact Mass | 219.951641 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DxZ8zT4EagR |
|---|---|
| Name | 2,5-Dichlorobenzenethiol, S-acetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.951641386 u |
| Formula | C8H6Cl2OS |
| InChI | InChI=1S/C8H6Cl2OS/c1-5(11)12-8-4-6(9)2-3-7(8)10/h2-4H,1H3 |
| InChIKey | YIYJGRSRDWYECA-UHFFFAOYSA-N |
| Molecular Weight | 221.101 g/mol |
| SMILES | C1(SC(C)=O)=C(C=CC(=C1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863922 |