| SpectraBase Compound ID | 4lKlHWEGAQk |
|---|---|
| InChI | InChI=1S/C12H14Cl2O3/c1-2-16-12(15)4-3-7-17-11-6-5-9(13)8-10(11)14/h5-6,8H,2-4,7H2,1H3 |
| InChIKey | BJGKRICBCYVRDX-UHFFFAOYSA-N |
| Mol Weight | 277.15 g/mol |
| Molecular Formula | C12H14Cl2O3 |
| Exact Mass | 276.032 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8IkM8JCNNnh |
|---|---|
| Name | 4-(2,4-Dichlorphenoxy)butyric acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.031999708 u |
| Formula | C12H14Cl2O3 |
| InChI | InChI=1S/C12H14Cl2O3/c1-2-16-12(15)4-3-7-17-11-6-5-9(13)8-10(11)14/h5-6,8H,2-4,7H2,1H3 |
| InChIKey | BJGKRICBCYVRDX-UHFFFAOYSA-N |
| SMILES | c1(ccc(c(c1)Cl)OCCCC(=O)OCC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900732 |