| SpectraBase Compound ID | FBOzWLweXsl |
|---|---|
| InChI | InChI=1S/C7H5Cl3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H |
| InChIKey | CLYZNABPUKUSDX-UHFFFAOYSA-N |
| Mol Weight | 211.47 g/mol |
| Molecular Formula | C7H5Cl3O |
| Exact Mass | 209.940598 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3WCa75svEaZ |
|---|---|
| Name | (Trichloromethoxy)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.940597880 u |
| Formula | C7H5Cl3O |
| InChI | InChI=1S/C7H5Cl3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H |
| InChIKey | CLYZNABPUKUSDX-UHFFFAOYSA-N |
| Molecular Weight | 211.475 g/mol |
| SMILES | C(OC1=CC=CC=C1)(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951601 |