| SpectraBase Compound ID | Hn9NF5BgTrA |
|---|---|
| InChI | InChI=1S/C6HBrF3NO2/c7-4-3(11(12)13)1-2(8)5(9)6(4)10/h1H |
| InChIKey | RISQAVRTASTTPY-UHFFFAOYSA-N |
| Mol Weight | 255.98 g/mol |
| Molecular Formula | C6HBrF3NO2 |
| Exact Mass | 254.914276 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EFfymE6T5QQ |
|---|---|
| Name | 2-Bromo-3,4,5-trifluoronitrobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.914275763 u |
| Formula | C6HBrF3NO2 |
| InChI | InChI=1S/C6HBrF3NO2/c7-4-3(11(12)13)1-2(8)5(9)6(4)10/h1H |
| InChIKey | RISQAVRTASTTPY-UHFFFAOYSA-N |
| Molecular Weight | 255.978 g/mol |
| SMILES | C1(F)=C(C(=C(C=C1F)N(=O)=O)Br)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.860868 |