| SpectraBase Spectrum ID |
JiIseUokhV9 |
| Name |
2-[2-(2-Bromanyl-5-fluoranyl-phenyl)ethyl]-4-fluoranyl-aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.012118716 u |
| Formula |
C14H12BrF2N |
| InChI |
InChI=1S/C14H12BrF2N/c15-13-5-3-11(16)7-9(13)1-2-10-8-12(17)4-6-14(10)18/h3-8H,1-2,18H2 |
| InChIKey |
XNALZWCSXOYASP-UHFFFAOYSA-N |
| Molecular Weight |
312.158 g/mol |
| SMILES |
C=1(C(=CC=C(C1)F)N)CCC=1C(=CC=C(C1)F)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834062 |
![2-[2-(2-Bromanyl-5-fluoranyl-phenyl)ethyl]-4-fluoranyl-aniline](/api/spectrum/JiIseUokhV9/structure.png?h=300&w=458 "2-[2-(2-Bromanyl-5-fluoranyl-phenyl)ethyl]-4-fluoranyl-aniline")
