| SpectraBase Compound ID | IQnjzXlde73 |
|---|---|
| InChI | InChI=1S/C11H10FN/c1-2-3-10(8-13)9-4-6-11(12)7-5-9/h2,4-7,10H,1,3H2 |
| InChIKey | RKNNFPOOCXUHFC-UHFFFAOYSA-N |
| Mol Weight | 175.21 g/mol |
| Molecular Formula | C11H10FN |
| Exact Mass | 175.079727 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K7mH6DLASjJ |
|---|---|
| Name | 2-(4-Fluorophenyl)-4-pentenenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.079727489 u |
| Formula | C11H10FN |
| InChI | InChI=1S/C11H10FN/c1-2-3-10(8-13)9-4-6-11(12)7-5-9/h2,4-7,10H,1,3H2 |
| InChIKey | RKNNFPOOCXUHFC-UHFFFAOYSA-N |
| Molecular Weight | 175.206 g/mol |
| SMILES | C(#N)C(C=1C=CC(=CC1)F)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922549 |