| SpectraBase Compound ID | J8oeZMx1bda |
|---|---|
| InChI | InChI=1S/C13H9FN2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8,16H |
| InChIKey | LDFSYDNIVZCSLJ-UHFFFAOYSA-N |
| Mol Weight | 212.23 g/mol |
| Molecular Formula | C13H9FN2 |
| Exact Mass | 212.074976 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L2AWaSiXUr1 |
|---|---|
| Name | 4-(4-Fluorophenylamino)benzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.074976461 u |
| Formula | C13H9FN2 |
| InChI | InChI=1S/C13H9FN2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8,16H |
| InChIKey | LDFSYDNIVZCSLJ-UHFFFAOYSA-N |
| Molecular Weight | 212.227 g/mol |
| SMILES | C=1(F)C=CC(=CC1)NC1=CC=C(C#N)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916138 |