| SpectraBase Compound ID | 74gW9vmD1hK |
|---|---|
| InChI | InChI=1S/C8H7Cl3O/c1-6-2-4-7(5-3-6)12-8(9,10)11/h2-5H,1H3 |
| InChIKey | WREWVOPYGFFLBB-UHFFFAOYSA-N |
| Mol Weight | 225.5 g/mol |
| Molecular Formula | C8H7Cl3O |
| Exact Mass | 223.956248 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8HCjp7mxzZV |
|---|---|
| Name | 1-Methyl-4-(trichloromethoxy)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.956247944 u |
| Formula | C8H7Cl3O |
| InChI | InChI=1S/C8H7Cl3O/c1-6-2-4-7(5-3-6)12-8(9,10)11/h2-5H,1H3 |
| InChIKey | WREWVOPYGFFLBB-UHFFFAOYSA-N |
| Molecular Weight | 225.502 g/mol |
| SMILES | C(OC=1C=CC(=CC1)C)(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872757 |