| SpectraBase Spectrum ID |
B2DA15O5LRI |
| Name |
4-Fluorophenethylamine N-(4-bromobenzyl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.037190650 u |
| Formula |
C15H15BrFN |
| InChI |
InChI=1S/C15H15BrFN/c16-14-5-1-13(2-6-14)11-18-10-9-12-3-7-15(17)8-4-12/h1-8,18H,9-11H2 |
| InChIKey |
YWIAFEAFHLWAOT-UHFFFAOYSA-N |
| Molecular Weight |
308.194 g/mol |
| SMILES |
C(NCC=1C=CC(=CC1)Br)CC1=CC=C(C=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936911 |
