| SpectraBase Compound ID | 5uqKkkcIUD4 |
|---|---|
| InChI | InChI=1S/C3H4Cl2OS/c1-7-3(4,5)2-6/h2H,1H3 |
| InChIKey | UYSKYFQFMALFFD-UHFFFAOYSA-N |
| Mol Weight | 159.03 g/mol |
| Molecular Formula | C3H4Cl2OS |
| Exact Mass | 157.935991 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GKcEt10CS0i |
|---|---|
| Name | Dichloro(methylthio)acetaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.935991322 u |
| Formula | C3H4Cl2OS |
| InChI | InChI=1S/C3H4Cl2OS/c1-7-3(4,5)2-6/h2H,1H3 |
| InChIKey | UYSKYFQFMALFFD-UHFFFAOYSA-N |
| SMILES | C(C=O)(SC)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937079 |