| SpectraBase Compound ID | EflO3OFk3Ji |
|---|---|
| InChI | InChI=1S/C6H4Cl6/c1-3(7)6(11,12)2-4(8)5(9)10/h1-2H2 |
| InChIKey | XLTVGBUOHAUXHL-UHFFFAOYSA-N |
| Mol Weight | 288.8 g/mol |
| Molecular Formula | C6H4Cl6 |
| Exact Mass | 285.844416 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Bc1mTVxQbTu |
|---|---|
| Name | 1,5-Hexadiene, 1,1,2,4,4,5-hexachloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.844416329 u |
| Formula | C6H4Cl6 |
| InChI | InChI=1S/C6H4Cl6/c1-3(7)6(11,12)2-4(8)5(9)10/h1-2H2 |
| InChIKey | XLTVGBUOHAUXHL-UHFFFAOYSA-N |
| Molecular Weight | 288.816 g/mol |
| SMILES | C=C(Cl)C(Cl)(Cl)CC(Cl)=C(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852519 |