| SpectraBase Compound ID | GBg2zpS081w |
|---|---|
| InChI | InChI=1S/C8H6Cl2O2/c1-4(11)5-2-3-6(9)7(10)8(5)12/h2-3,12H,1H3 |
| InChIKey | IAPWSRGXLFGVQR-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 | PjJBIESlMx |
|---|---|
| Name | 3',4'-Dichloro-2'-hydroxyacetophenone |
| 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/c1-4(11)5-2-3-6(9)7(10)8(5)12/h2-3,12H,1H3 |
| InChIKey | IAPWSRGXLFGVQR-UHFFFAOYSA-N |
| SMILES | OC1=C(C=CC(=C1Cl)Cl)C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.9542 |