| SpectraBase Compound ID | FHB8BceqG5G |
|---|---|
| InChI | InChI=1S/C7H3BrClF3O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H |
| InChIKey | WSENYRJAJFHXQR-UHFFFAOYSA-N |
| Mol Weight | 275.45 g/mol |
| Molecular Formula | C7H3BrClF3O |
| Exact Mass | 273.90079 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4hAbUgLjBVD |
|---|---|
| Name | 4-Bromo-2-chloro-1-(trifluoromethoxy)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.900789905 u |
| Formula | C7H3BrClF3O |
| InChI | InChI=1S/C7H3BrClF3O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H |
| InChIKey | WSENYRJAJFHXQR-UHFFFAOYSA-N |
| Molecular Weight | 275.452 g/mol |
| SMILES | C(F)(F)(F)OC1=C(C=C(C=C1)Br)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.81773 |