| SpectraBase Compound ID | Lq6i3GnHjwu |
|---|---|
| InChI | InChI=1S/C7H2BrF2N/c8-7-5(9)1-4(3-11)2-6(7)10/h1-2H |
| InChIKey | LRMUGJVHRUVMHP-UHFFFAOYSA-N |
| Mol Weight | 218.0 g/mol |
| Molecular Formula | C7H2BrF2N |
| Exact Mass | 216.933868 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8FhYdjGmdzI |
|---|---|
| Name | 4-Bromo-3,5-difluorobenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.933868394 u |
| Formula | C7H2BrF2N |
| InChI | InChI=1S/C7H2BrF2N/c8-7-5(9)1-4(3-11)2-6(7)10/h1-2H |
| InChIKey | LRMUGJVHRUVMHP-UHFFFAOYSA-N |
| Molecular Weight | 218.001 g/mol |
| SMILES | C1(F)=C(C(=CC(=C1)C#N)F)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90326 |