| SpectraBase Spectrum ID |
FPF7erb5ZBM |
| Name |
(2-Bromophenyl)-[4-[5-(4-ethyl-1-piperazinyl)-4-fluoro-2-nitrophenyl]-2-methyl-1-piperazinyl]methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
533.143780974 u |
| Formula |
C24H29BrFN5O3 |
| InChI |
InChI=1S/C24H29BrFN5O3/c1-3-27-8-10-28(11-9-27)21-15-22(23(31(33)34)14-20(21)26)29-12-13-30(17(2)16-29)24(32)18-6-4-5-7-19(18)25/h4-7,14-15,17H,3,8-13,16H2,1-2H3 |
| InChIKey |
DMHUNAIQELVRBD-UHFFFAOYSA-N |
| Molecular Weight |
534.430 g/mol |
| SMILES |
C1(N(=O)=O)=C(N2CC(C)N(C(C3=C(Br)C=CC=C3)=O)CC2)C=C(C(=C1)F)N1CCN(CC1)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850047 |
![(2-Bromophenyl)-[4-[5-(4-ethyl-1-piperazinyl)-4-fluoro-2-nitrophenyl]-2-methyl-1-piperazinyl]methanone](/api/spectrum/FPF7erb5ZBM/structure.png?h=300&w=458 "(2-Bromophenyl)-[4-[5-(4-ethyl-1-piperazinyl)-4-fluoro-2-nitrophenyl]-2-methyl-1-piperazinyl]methanone")
