| SpectraBase Compound ID | Df2rrsuMLTD |
|---|---|
| InChI | InChI=1S/C13H11FIN/c14-11-4-2-6-13(8-11)16-9-10-3-1-5-12(15)7-10/h1-8,16H,9H2 |
| InChIKey | AYURQOATHVXRRT-UHFFFAOYSA-N |
| Mol Weight | 327.14 g/mol |
| Molecular Formula | C13H11FIN |
| Exact Mass | 326.992023 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | gMaY9qBwXC |
|---|---|
| Name | 3-Fluoro-N-(3-iodobenzyl)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.992022521 u |
| Formula | C13H11FIN |
| InChI | InChI=1S/C13H11FIN/c14-11-4-2-6-13(8-11)16-9-10-3-1-5-12(15)7-10/h1-8,16H,9H2 |
| InChIKey | AYURQOATHVXRRT-UHFFFAOYSA-N |
| Molecular Weight | 327.141 g/mol |
| SMILES | C1(NCC2=CC(=CC=C2)I)=CC(=CC=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923792 |