| SpectraBase Compound ID | EMV7kcYzlQe |
|---|---|
| InChI | InChI=1S/C7H4BrF3O2/c8-5-2-1-4(12)3-6(5)13-7(9,10)11/h1-3,12H |
| InChIKey | PGJZBAVEKVWHIO-UHFFFAOYSA-N |
| Mol Weight | 257.01 g/mol |
| Molecular Formula | C7H4BrF3O2 |
| Exact Mass | 255.934677 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8leoOPGQ4hy |
|---|---|
| Name | 4-Bromo-3-(trifluoromethoxy)phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.934676856 u |
| Formula | C7H4BrF3O2 |
| InChI | InChI=1S/C7H4BrF3O2/c8-5-2-1-4(12)3-6(5)13-7(9,10)11/h1-3,12H |
| InChIKey | PGJZBAVEKVWHIO-UHFFFAOYSA-N |
| Molecular Weight | 257.006 g/mol |
| SMILES | C(F)(F)(F)OC1=C(C=CC(=C1)O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915475 |