| SpectraBase Spectrum ID |
17CFJGzmsmB |
| Name |
N-(4-Fluorophenyl)-2-fluorobenzylamine |
| 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/c14-11-5-7-12(8-6-11)16-9-10-3-1-2-4-13(10)15/h1-8,16H,9H2 |
| InChIKey |
RWWYOOOOZRDIMW-UHFFFAOYSA-N |
| Molecular Weight |
219.235 g/mol |
| SMILES |
C1(NCC2=C(C=CC=C2)F)=CC=C(C=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908396 |