| SpectraBase Compound ID | DvSBDmJHa6I |
|---|---|
| InChI | InChI=1S/C7H4BrF4N/c8-4-2-5(9)3(1-6(4)13)7(10,11)12/h1-2H,13H2 |
| InChIKey | ZRMRCSMDONHRKT-UHFFFAOYSA-N |
| Mol Weight | 258.01 g/mol |
| Molecular Formula | C7H4BrF4N |
| Exact Mass | 256.946325 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JFCpyW023z |
|---|---|
| Name | 2-Bromo-4-fluoro-5-(trifluoromethyl)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.946324785 u |
| Formula | C7H4BrF4N |
| InChI | InChI=1S/C7H4BrF4N/c8-4-2-5(9)3(1-6(4)13)7(10,11)12/h1-2H,13H2 |
| InChIKey | ZRMRCSMDONHRKT-UHFFFAOYSA-N |
| Molecular Weight | 258.014 g/mol |
| SMILES | C1(N)=C(C=C(C(=C1)C(F)(F)F)F)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963938 |