| SpectraBase Compound ID | KlSBSniZX4l |
|---|---|
| InChI | InChI=1S/C12H7Cl3O/c13-9-6-11(15)12(7-10(9)14)16-8-4-2-1-3-5-8/h1-7H |
| InChIKey | UWKZWXCTDPYXHU-UHFFFAOYSA-N |
| Mol Weight | 273.55 g/mol |
| Molecular Formula | C12H7Cl3O |
| Exact Mass | 271.956248 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4iA6yM1OfsP |
|---|---|
| Name | 2,4,5-Trichlordiphenylether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.956247944 u |
| Formula | C12H7Cl3O |
| InChI | InChI=1S/C12H7Cl3O/c13-9-6-11(15)12(7-10(9)14)16-8-4-2-1-3-5-8/h1-7H |
| InChIKey | UWKZWXCTDPYXHU-UHFFFAOYSA-N |
| SMILES | C1(Cl)=CC(Cl)=C(Cl)C=C1OC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957263 |