| SpectraBase Compound ID | 6Mh6ntF3uHB |
|---|---|
| InChI | InChI=1S/C7Cl6O/c8-1-2(9)4(11)6(13)7(14)5(12)3(1)10 |
| InChIKey | WGSYUYMYPJFQHE-UHFFFAOYSA-N |
| Mol Weight | 312.8 g/mol |
| Molecular Formula | C7Cl6O |
| Exact Mass | 309.808031 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 99y45uen6y8 |
|---|---|
| Name | Hexachloro-2,4,6-cycloheptatrien-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.808030819 u |
| Formula | C7Cl6O |
| InChI | InChI=1S/C7Cl6O/c8-1-2(9)4(11)6(13)7(14)5(12)3(1)10 |
| InChIKey | WGSYUYMYPJFQHE-UHFFFAOYSA-N |
| Molecular Weight | 312.794 g/mol |
| SMILES | C1(=C(C(=C(Cl)C(C(=C1Cl)Cl)=O)Cl)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941932 |