| SpectraBase Compound ID | H5dliHIcehe |
|---|---|
| InChI | InChI=1S/C8H6FN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3 |
| InChIKey | KUQQONVKIURIQU-UHFFFAOYSA-N |
| Mol Weight | 135.14 g/mol |
| Molecular Formula | C8H6FN |
| Exact Mass | 135.048427 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KKESFvyUmjH |
|---|---|
| Name | 2-Fluoro-4-cyanotoluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 135.048427360 u |
| Formula | C8H6FN |
| InChI | InChI=1S/C8H6FN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3 |
| InChIKey | KUQQONVKIURIQU-UHFFFAOYSA-N |
| Molecular Weight | 135.141 g/mol |
| SMILES | C1=C(C=CC(=C1F)C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907537 |