| SpectraBase Compound ID | Az6NiFQe2Cm |
|---|---|
| InChI | InChI=1S/C9H8Cl2O2/c1-5-3-9(13-6(2)12)8(11)4-7(5)10/h3-4H,1-2H3 |
| InChIKey | RIKJKLSJVOQXIR-UHFFFAOYSA-N |
| Mol Weight | 219.07 g/mol |
| Molecular Formula | C9H8Cl2O2 |
| Exact Mass | 217.990135 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CkA3b0xXIN4 |
|---|---|
| Name | 2,4-Dichloro-5-methylphenol, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.990134896 u |
| Formula | C9H8Cl2O2 |
| InChI | InChI=1S/C9H8Cl2O2/c1-5-3-9(13-6(2)12)8(11)4-7(5)10/h3-4H,1-2H3 |
| InChIKey | RIKJKLSJVOQXIR-UHFFFAOYSA-N |
| Molecular Weight | 219.067 g/mol |
| SMILES | CC1=C(Cl)C=C(C(=C1)OC(C)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.834916 |