| SpectraBase Spectrum ID |
DRbfI7ynQlp |
| Name |
N-(3-Fluorobenzyl)-N-(3-iodobenzyl)amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.007672586 u |
| Formula |
C14H13FIN |
| InChI |
InChI=1S/C14H13FIN/c15-13-5-1-3-11(7-13)9-17-10-12-4-2-6-14(16)8-12/h1-8,17H,9-10H2 |
| InChIKey |
VOODAJZKDVJGSA-UHFFFAOYSA-N |
| Molecular Weight |
341.168 g/mol |
| SMILES |
C=1(CNCC=2C=C(C=CC2)I)C=C(C=CC1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929496 |