| SpectraBase Compound ID | BNmALVoIDb8 |
|---|---|
| InChI | InChI=1S/C13H11F2N/c14-11-4-6-13(7-5-11)16-9-10-2-1-3-12(15)8-10/h1-8,16H,9H2 |
| InChIKey | UBSHCRLMBHFXHL-UHFFFAOYSA-N |
| Mol Weight | 219.23 g/mol |
| Molecular Formula | C13H11F2N |
| Exact Mass | 219.085956 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AAgR0jAL6yS |
|---|---|
| Name | 4-Fluoro-N-(3-fluorobenzyl)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.085955684 u |
| Formula | C13H11F2N |
| InChI | InChI=1S/C13H11F2N/c14-11-4-6-13(7-5-11)16-9-10-2-1-3-12(15)8-10/h1-8,16H,9H2 |
| InChIKey | UBSHCRLMBHFXHL-UHFFFAOYSA-N |
| Molecular Weight | 219.235 g/mol |
| SMILES | C1(NCC2=CC(=CC=C2)F)=CC=C(C=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933827 |