| SpectraBase Compound ID | B2lwWSE1CKi |
|---|---|
| InChI | InChI=1S/C8H6Cl2O2/c1-3-5(9)8(12)6(10)4(2)7(3)11/h1-2H3 |
| InChIKey | FPSIGQVXMAGDIY-UHFFFAOYSA-N |
| Mol Weight | 205.04 g/mol |
| Molecular Formula | C8H6Cl2O2 |
| Exact Mass | 203.974485 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9hMwbb9ENak |
|---|---|
| Name | 2,6-Dichloro-3,5-dimethyl-p-benzoquinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.974484831 u |
| Formula | C8H6Cl2O2 |
| InChI | InChI=1S/C8H6Cl2O2/c1-3-5(9)8(12)6(10)4(2)7(3)11/h1-2H3 |
| InChIKey | FPSIGQVXMAGDIY-UHFFFAOYSA-N |
| Molecular Weight | 205.040 g/mol |
| SMILES | C=1(C(C(=C(C(C1C)=O)C)Cl)=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.978213 |