| SpectraBase Compound ID | 7sGJU5MjEHO |
|---|---|
| InChI | InChI=1S/C7H5BrF3NO/c8-4-1-2-6(5(12)3-4)13-7(9,10)11/h1-3H,12H2 |
| InChIKey | FOJWHUFRHXEUBA-UHFFFAOYSA-N |
| Mol Weight | 256.02 g/mol |
| Molecular Formula | C7H5BrF3NO |
| Exact Mass | 254.950661 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7pMrnMQSBoD |
|---|---|
| Name | 5-Bromo-2-(trifluoromethoxy)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.950661273 u |
| Formula | C7H5BrF3NO |
| InChI | InChI=1S/C7H5BrF3NO/c8-4-1-2-6(5(12)3-4)13-7(9,10)11/h1-3H,12H2 |
| InChIKey | FOJWHUFRHXEUBA-UHFFFAOYSA-N |
| Molecular Weight | 256.022 g/mol |
| SMILES | C(F)(F)(F)OC1=C(C=C(C=C1)Br)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922271 |