| SpectraBase Compound ID | BXVNItnS7a3 |
|---|---|
| InChI | InChI=1S/C8H6BrF3O2/c1-13-7-4-5(2-3-6(7)9)14-8(10,11)12/h2-4H,1H3 |
| InChIKey | XUQRLMCZVKFXFX-UHFFFAOYSA-N |
| Mol Weight | 271.03 g/mol |
| Molecular Formula | C8H6BrF3O2 |
| Exact Mass | 269.950327 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KBk00fuN3Cx |
|---|---|
| Name | 1-Bromo-2-methoxy-4-(trifluoromethoxy)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.950326920 u |
| Formula | C8H6BrF3O2 |
| InChI | InChI=1S/C8H6BrF3O2/c1-13-7-4-5(2-3-6(7)9)14-8(10,11)12/h2-4H,1H3 |
| InChIKey | XUQRLMCZVKFXFX-UHFFFAOYSA-N |
| Molecular Weight | 271.033 g/mol |
| SMILES | C(F)(F)(F)OC1=CC(=C(C=C1)Br)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905678 |