| SpectraBase Compound ID | 6eeoIHLO4IJ |
|---|---|
| InChI | InChI=1S/C8H6ClF3O/c1-13-7-3-5(8(10,11)12)2-6(9)4-7/h2-4H,1H3 |
| InChIKey | RZLMBMVNHVUJML-UHFFFAOYSA-N |
| Mol Weight | 210.58 g/mol |
| Molecular Formula | C8H6ClF3O |
| Exact Mass | 210.005927 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AhuaBMuE2wd |
|---|---|
| Name | 3-Chloro-5-(trifluoromethyl)anisole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.005927001 u |
| Formula | C8H6ClF3O |
| InChI | InChI=1S/C8H6ClF3O/c1-13-7-3-5(8(10,11)12)2-6(9)4-7/h2-4H,1H3 |
| InChIKey | RZLMBMVNHVUJML-UHFFFAOYSA-N |
| Molecular Weight | 210.583 g/mol |
| SMILES | C(F)(F)(F)C1=CC(=CC(=C1)OC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903907 |