| SpectraBase Compound ID | 4iU2fRMt3Hm |
|---|---|
| InChI | InChI=1S/C4H3Cl3O/c5-1-3(2-8)4(6)7/h1-2,4H/b3-1+ |
| InChIKey | YQWYCZGFVGBYCG-HNQUOIGGSA-N |
| Mol Weight | 173.43 g/mol |
| Molecular Formula | C4H3Cl3O |
| Exact Mass | 171.924948 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | InA5u8Pevnp |
|---|---|
| Name | 2-(Dichloromethyl)-3-chloro-2-propenal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.924947816 u |
| Formula | C4H3Cl3O |
| InChI | InChI=1S/C4H3Cl3O/c5-1-3(2-8)4(6)7/h1-2,4H/b3-1+ |
| InChIKey | YQWYCZGFVGBYCG-HNQUOIGGSA-N |
| SMILES | C(\C(=C/Cl)C(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949993 |