| SpectraBase Compound ID | EYUA9tKimOF |
|---|---|
| InChI | InChI=1S/C7H3BrF3I/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H |
| InChIKey | LFHYCNXVEWPYAB-UHFFFAOYSA-N |
| Mol Weight | 350.9 g/mol |
| Molecular Formula | C7H3BrF3I |
| Exact Mass | 349.841493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LW733kIwsqn |
|---|---|
| Name | 3-Bromo-4-iodobenzotrifluoride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.841492586 u |
| Formula | C7H3BrF3I |
| InChI | InChI=1S/C7H3BrF3I/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H |
| InChIKey | LFHYCNXVEWPYAB-UHFFFAOYSA-N |
| Molecular Weight | 350.905 g/mol |
| SMILES | C(F)(F)(F)C1=CC=C(C(Br)=C1)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946778 |