| SpectraBase Compound ID | GE79TJLFVuJ |
|---|---|
| InChI | InChI=1S/C7H3BrF4/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H |
| InChIKey | VPXCYIIXCVJZKZ-UHFFFAOYSA-N |
| Mol Weight | 243.0 g/mol |
| Molecular Formula | C7H3BrF4 |
| Exact Mass | 241.935426 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BJ5DaVouH9Q |
|---|---|
| Name | 3-Bromo-2-fluorobenzotrifluoride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.935425749 u |
| Formula | C7H3BrF4 |
| InChI | InChI=1S/C7H3BrF4/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H |
| InChIKey | VPXCYIIXCVJZKZ-UHFFFAOYSA-N |
| Molecular Weight | 242.999 g/mol |
| SMILES | C1=CC=C(C(=C1C(F)(F)F)F)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906798 |