| SpectraBase Compound ID | 90GVvNmg4tf |
|---|---|
| InChI | InChI=1S/C8H6Cl2O3/c9-7(10)8(12)13-6-3-1-5(11)2-4-6/h1-4,7,11H |
| InChIKey | ZHVFIMQYMVQYOI-UHFFFAOYSA-N |
| Mol Weight | 221.04 g/mol |
| Molecular Formula | C8H6Cl2O3 |
| Exact Mass | 219.969399 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6sh4z0pFNOi |
|---|---|
| Name | Acetic acid, 2,2-dichloro-, 4-hydroxyphenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.969399450 u |
| Formula | C8H6Cl2O3 |
| InChI | InChI=1S/C8H6Cl2O3/c9-7(10)8(12)13-6-3-1-5(11)2-4-6/h1-4,7,11H |
| InChIKey | ZHVFIMQYMVQYOI-UHFFFAOYSA-N |
| Molecular Weight | 221.039 g/mol |
| SMILES | C1(O)=CC=C(C=C1)OC(=O)C(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947426 |