| SpectraBase Compound ID | BmaKgSlZVMx |
|---|---|
| InChI | InChI=1S/C7H5F3O/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,1H3 |
| InChIKey | SKYXLDSRLNRAPS-UHFFFAOYSA-N |
| Mol Weight | 162.11 g/mol |
| Molecular Formula | C7H5F3O |
| Exact Mass | 162.029249 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8uNyPx3D2tl |
|---|---|
| Name | 2,4,5-Trifluoroanisole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.029249269 u |
| Formula | C7H5F3O |
| InChI | InChI=1S/C7H5F3O/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,1H3 |
| InChIKey | SKYXLDSRLNRAPS-UHFFFAOYSA-N |
| Molecular Weight | 162.111 g/mol |
| SMILES | C1=C(C(F)=CC(=C1F)OC)F |
| Spectrum/Structure Validation Score (Raman) | 0.723233 |