| SpectraBase Compound ID | 4sslGdnc65r |
|---|---|
| InChI | InChI=1S/C4H2Cl6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1+ |
| InChIKey | HTXRDUJXLGXURM-OWOJBTEDSA-N |
| Mol Weight | 262.8 g/mol |
| Molecular Formula | C4H2Cl6 |
| Exact Mass | 259.828766 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5OvNL7V3hF5 |
|---|---|
| Name | 1,1,1,4,4,4-Hexachloro-2-butene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.828766264 u |
| Formula | C4H2Cl6 |
| InChI | InChI=1S/C4H2Cl6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1+ |
| InChIKey | HTXRDUJXLGXURM-OWOJBTEDSA-N |
| SMILES | C(\C=C\C(Cl)(Cl)Cl)(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942889 |