| SpectraBase Compound ID | IHnwl0jHJ4J |
|---|---|
| InChI | InChI=1S/C10H8FN/c1-8(6-7-12)9-2-4-10(11)5-3-9/h2-6H,1H3/b8-6+ |
| InChIKey | RBOHSWPGMLMOBR-SOFGYWHQSA-N |
| Mol Weight | 161.18 g/mol |
| Molecular Formula | C10H8FN |
| Exact Mass | 161.064077 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8EodYqnk52T |
|---|---|
| Name | (E)-3-(4-Fluorophenyl)but-2-enenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.064077425 u |
| Formula | C10H8FN |
| InChI | InChI=1S/C10H8FN/c1-8(6-7-12)9-2-4-10(11)5-3-9/h2-6H,1H3/b8-6+ |
| InChIKey | RBOHSWPGMLMOBR-SOFGYWHQSA-N |
| Molecular Weight | 161.179 g/mol |
| SMILES | C=1C=C(\C(=C\C#N)C)C=CC1F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904753 |