| SpectraBase Compound ID | LWgX2cw43e1 |
|---|---|
| InChI | InChI=1S/C9H8Cl2O3/c1-13-5-3-6(10)8(7(11)4-5)9(12)14-2/h3-4H,1-2H3 |
| InChIKey | PXJKQTNNXCVMOY-UHFFFAOYSA-N |
| Mol Weight | 235.07 g/mol |
| Molecular Formula | C9H8Cl2O3 |
| Exact Mass | 233.98505 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4m5JWVKja0J |
|---|---|
| Name | Methyl 2,6-dichloro-4-methoxybenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.985049515 u |
| Formula | C9H8Cl2O3 |
| InChI | InChI=1S/C9H8Cl2O3/c1-13-5-3-6(10)8(7(11)4-5)9(12)14-2/h3-4H,1-2H3 |
| InChIKey | PXJKQTNNXCVMOY-UHFFFAOYSA-N |
| Molecular Weight | 235.066 g/mol |
| SMILES | C=1(C(=CC(=CC1Cl)OC)Cl)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.886987 |