| SpectraBase Spectrum ID |
qYsYVj33RL |
| Name |
2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dimethoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
235.964314069 u |
| Formula |
C8H6Cl2O4 |
| InChI |
InChI=1S/C8H6Cl2O4/c1-13-7-3(9)6(12)8(14-2)4(10)5(7)11/h1-2H3 |
| InChIKey |
JQVAMWPWHPTLNU-UHFFFAOYSA-N |
| Molecular Weight |
237.038 g/mol |
| SMILES |
COC1=C(Cl)C(=O)C(=C(C1=O)Cl)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925179 |
