| SpectraBase Compound ID | 2q119OE36vh |
|---|---|
| InChI | InChI=1S/C9H5ClFN/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-5H |
| InChIKey | VKODFVFEPLUPRI-UHFFFAOYSA-N |
| Mol Weight | 181.6 g/mol |
| Molecular Formula | C9H5ClFN |
| Exact Mass | 181.009455 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gn8ojkApYIr |
|---|---|
| Name | 2-Fluoro-3-(4-chlorophenyl)acrylonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.009455028 u |
| Formula | C9H5ClFN |
| InChI | InChI=1S/C9H5ClFN/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-5H |
| InChIKey | VKODFVFEPLUPRI-UHFFFAOYSA-N |
| Molecular Weight | 181.597 g/mol |
| SMILES | C(#N)C(=CC=1C=CC(=CC1)Cl)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895051 |