| SpectraBase Compound ID | 8WIp58pkXxB |
|---|---|
| InChI | InChI=1S/C8H5BrFN/c9-4-7-3-6(5-11)1-2-8(7)10/h1-3H,4H2 |
| InChIKey | JXQHMLRWRPHXIT-UHFFFAOYSA-N |
| Mol Weight | 214.04 g/mol |
| Molecular Formula | C8H5BrFN |
| Exact Mass | 212.95894 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 62G3twjOciR |
|---|---|
| Name | 3-(Bromomethyl)-4-fluorobenzonitrile |
| 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/c9-4-7-3-6(5-11)1-2-8(7)10/h1-3H,4H2 |
| InChIKey | JXQHMLRWRPHXIT-UHFFFAOYSA-N |
| Molecular Weight | 214.037 g/mol |
| SMILES | C1(F)=C(C=C(C=C1)C#N)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904539 |