| SpectraBase Compound ID | 1Aw8BnfHVad |
|---|---|
| InChI | InChI=1S/C8H10Cl4O2/c9-7(10)5(13)3-1-2-4-6(14)8(11)12/h7-8H,1-4H2 |
| InChIKey | XVBORNVQYJJJQM-UHFFFAOYSA-N |
| Mol Weight | 280.0 g/mol |
| Molecular Formula | C8H10Cl4O2 |
| Exact Mass | 277.94349 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LBx37eakk65 |
|---|---|
| Name | 1,1,8,8-Tetrachlorooctan-2,7-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.943490360 u |
| Formula | C8H10Cl4O2 |
| InChI | InChI=1S/C8H10Cl4O2/c9-7(10)5(13)3-1-2-4-6(14)8(11)12/h7-8H,1-4H2 |
| InChIKey | XVBORNVQYJJJQM-UHFFFAOYSA-N |
| SMILES | C(C(=O)CCCCC(C(Cl)Cl)=O)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.808963 |