| SpectraBase Compound ID | 7ISuiQchDRd |
|---|---|
| InChI | InChI=1S/C3H4Cl2O/c1-3(4,5)2-6/h2H,1H3 |
| InChIKey | RZMJADJBFVRIFD-UHFFFAOYSA-N |
| Mol Weight | 126.97 g/mol |
| Molecular Formula | C3H4Cl2O |
| Exact Mass | 125.96392 g/mol |
| SpectraBase Spectrum ID | GpWxJtuPFBk |
|---|---|
| Name | 2,2-Dichloropropanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 125.963920148 u |
| Formula | C3H4Cl2O |
| InChI | InChI=1S/C3H4Cl2O/c1-3(4,5)2-6/h2H,1H3 |
| InChIKey | RZMJADJBFVRIFD-UHFFFAOYSA-N |
| SMILES | C(C(C)(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.820258 |