| SpectraBase Compound ID | CP2NhuMVQ1s |
|---|---|
| InChI | InChI=1S/C7H2Br2F4/c8-5-2-3(10)1-4(6(5)9)7(11,12)13/h1-2H |
| InChIKey | GTORMFGZNQYAHS-UHFFFAOYSA-N |
| Mol Weight | 321.89 g/mol |
| Molecular Formula | C7H2Br2F4 |
| Exact Mass | 319.845939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5dWB9oKxz8r |
|---|---|
| Name | 2,3-Dibromo-5-fluorobenzotrifluoride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.845938716 u |
| Formula | C7H2Br2F4 |
| InChI | InChI=1S/C7H2Br2F4/c8-5-2-3(10)1-4(6(5)9)7(11,12)13/h1-2H |
| InChIKey | GTORMFGZNQYAHS-UHFFFAOYSA-N |
| Molecular Weight | 321.895 g/mol |
| SMILES | C1(=C(C(=CC(=C1)F)C(F)(F)F)Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892792 |