| SpectraBase Spectrum ID |
C8HW5IvqUwA |
| Name |
4-Bromo 5-[4-[4-fluorophenyl]piperazin-1-yl]veratrole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.069219053 u |
| Formula |
C18H20BrFN2O2 |
| InChI |
InChI=1S/C18H20BrFN2O2/c1-23-17-11-15(19)16(12-18(17)24-2)22-9-7-21(8-10-22)14-5-3-13(20)4-6-14/h3-6,11-12H,7-10H2,1-2H3 |
| InChIKey |
YXEKFJCJQDOMKX-UHFFFAOYSA-N |
| Molecular Weight |
395.272 g/mol |
| SMILES |
C1=C(C(Br)=CC(=C1OC)OC)N1CCN(CC1)C1=CC=C(C=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841918 |
![4-Bromo 5-[4-[4-fluorophenyl]piperazin-1-yl]veratrole](/api/spectrum/C8HW5IvqUwA/structure.png?h=300&w=458 "4-Bromo 5-[4-[4-fluorophenyl]piperazin-1-yl]veratrole")
