| SpectraBase Compound ID | LP05Hi4GxXS |
|---|---|
| InChI | InChI=1S/C8H5BrF3NO/c9-5-1-3-6(4-2-5)13-7(14)8(10,11)12/h1-4H,(H,13,14) |
| InChIKey | VVFVNAMWSGDFCX-UHFFFAOYSA-N |
| Mol Weight | 268.03 g/mol |
| Molecular Formula | C8H5BrF3NO |
| Exact Mass | 266.950661 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2UpcgTKbyoT |
|---|---|
| Name | 4-Bromoaniline, N-trifluoroacetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.950661273 u |
| Formula | C8H5BrF3NO |
| InChI | InChI=1S/C8H5BrF3NO/c9-5-1-3-6(4-2-5)13-7(14)8(10,11)12/h1-4H,(H,13,14) |
| InChIKey | VVFVNAMWSGDFCX-UHFFFAOYSA-N |
| Molecular Weight | 268.033 g/mol |
| SMILES | C1(NC(C(F)(F)F)=O)=CC=C(C=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.802125 |