| SpectraBase Compound ID | COUunLleEsB |
|---|---|
| InChI | InChI=1S/C8H2Cl4O2/c9-5-1-3(7(11)13)6(10)2-4(5)8(12)14/h1-2H |
| InChIKey | IQNTUYCIRRCRDY-UHFFFAOYSA-N |
| Mol Weight | 271.9 g/mol |
| Molecular Formula | C8H2Cl4O2 |
| Exact Mass | 269.88089 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F2ky247YlWE |
|---|---|
| Name | 1,4-Benzenedicarbonyl dichloride, 2,5-dichloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.880890102 u |
| Formula | C8H2Cl4O2 |
| InChI | InChI=1S/C8H2Cl4O2/c9-5-1-3(7(11)13)6(10)2-4(5)8(12)14/h1-2H |
| InChIKey | IQNTUYCIRRCRDY-UHFFFAOYSA-N |
| Molecular Weight | 271.914 g/mol |
| SMILES | C(Cl)(=O)C1=CC(Cl)=C(C=C1Cl)C(Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942712 |