| SpectraBase Compound ID | 2l1QCgoxTKh |
|---|---|
| InChI | InChI=1S/C8H5BrFN/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3H2 |
| InChIKey | CVMIQENCTVIYOH-UHFFFAOYSA-N |
| Mol Weight | 214.04 g/mol |
| Molecular Formula | C8H5BrFN |
| Exact Mass | 212.95894 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 94m7q5RLv8u |
|---|---|
| Name | (5-Bromo-2-fluorophenyl)acetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.958940328 u |
| Formula | C8H5BrFN |
| InChI | InChI=1S/C8H5BrFN/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3H2 |
| InChIKey | CVMIQENCTVIYOH-UHFFFAOYSA-N |
| Molecular Weight | 214.037 g/mol |
| SMILES | C1(F)=C(C=C(C=C1)Br)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.861194 |