| SpectraBase Compound ID | LHWab2EhNeW |
|---|---|
| InChI | InChI=1S/C7H4BrClF3N/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H,13H2 |
| InChIKey | OVJCOPVKCCJSFE-UHFFFAOYSA-N |
| Mol Weight | 274.47 g/mol |
| Molecular Formula | C7H4BrClF3N |
| Exact Mass | 272.916774 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FwhcBwyURAW |
|---|---|
| Name | 2-Bromo-6-chloro-4-(trifluoromethyl)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.916774322 u |
| Formula | C7H4BrClF3N |
| InChI | InChI=1S/C7H4BrClF3N/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H,13H2 |
| InChIKey | OVJCOPVKCCJSFE-UHFFFAOYSA-N |
| Molecular Weight | 274.468 g/mol |
| SMILES | C1(Br)=C(N)C(=CC(=C1)C(F)(F)F)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.797089 |