| SpectraBase Compound ID | AoD3MfaCG0I |
|---|---|
| InChI | InChI=1S/C8H3FN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H |
| InChIKey | QQEKYCCJLSRLEC-UHFFFAOYSA-N |
| Mol Weight | 146.12 g/mol |
| Molecular Formula | C8H3FN2 |
| Exact Mass | 146.028026 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JyDgdvYFGzv |
|---|---|
| Name | 4-Fluorophthalonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.028026268 u |
| Formula | C8H3FN2 |
| InChI | InChI=1S/C8H3FN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H |
| InChIKey | QQEKYCCJLSRLEC-UHFFFAOYSA-N |
| Molecular Weight | 146.124 g/mol |
| SMILES | C1(F)=CC(=C(C=C1)C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913572 |