| SpectraBase Compound ID | 5ZAgjTC9plX |
|---|---|
| InChI | InChI=1S/C12H7Cl3O2/c13-7-5-10(14)12(11(15)6-7)17-9-3-1-8(16)2-4-9/h1-6,16H |
| InChIKey | PWJFMODCCVSDJZ-UHFFFAOYSA-N |
| Mol Weight | 289.55 g/mol |
| Molecular Formula | C12H7Cl3O2 |
| Exact Mass | 287.951163 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5OMYTTmRisQ |
|---|---|
| Name | 4-(2,4,6-Trichlorophenoxy)phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.951162563 u |
| Formula | C12H7Cl3O2 |
| InChI | InChI=1S/C12H7Cl3O2/c13-7-5-10(14)12(11(15)6-7)17-9-3-1-8(16)2-4-9/h1-6,16H |
| InChIKey | PWJFMODCCVSDJZ-UHFFFAOYSA-N |
| SMILES | C=1(C(=CC(=CC1Cl)Cl)Cl)OC=1C=CC(=CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891366 |