| SpectraBase Compound ID | DxsHZHQvg15 |
|---|---|
| InChI | InChI=1S/C8H6Cl2O2/c1-5(11)12-6-2-3-7(9)8(10)4-6/h2-4H,1H3 |
| InChIKey | OSKGYRIYNMZFSJ-UHFFFAOYSA-N |
| Mol Weight | 205.04 g/mol |
| Molecular Formula | C8H6Cl2O2 |
| Exact Mass | 203.974485 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fqk7Rvtrh41 |
|---|---|
| Name | Phenol, 3,4-dichloro-, acetate |
| 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/c1-5(11)12-6-2-3-7(9)8(10)4-6/h2-4H,1H3 |
| InChIKey | OSKGYRIYNMZFSJ-UHFFFAOYSA-N |
| Molecular Weight | 205.040 g/mol |
| SMILES | C1(OC(C)=O)=CC(=C(C=C1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955453 |