| SpectraBase Compound ID | ByMzlBGgKm |
|---|---|
| InChI | InChI=1S/C4H3Cl5/c5-1-2(3(6)7)4(8)9/h3H,1H2 |
| InChIKey | LBEYIDYWVGHJQM-UHFFFAOYSA-N |
| Mol Weight | 228.3 g/mol |
| Molecular Formula | C4H3Cl5 |
| Exact Mass | 225.867739 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LJ4ZpysxahI |
|---|---|
| Name | 1,1,3,3-Tetrachloro-2-(chloromethyl)prop-1-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.867738597 u |
| Formula | C4H3Cl5 |
| InChI | InChI=1S/C4H3Cl5/c5-1-2(3(6)7)4(8)9/h3H,1H2 |
| InChIKey | LBEYIDYWVGHJQM-UHFFFAOYSA-N |
| SMILES | C(=C(Cl)Cl)(CCl)C(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872084 |