| SpectraBase Spectrum ID |
QMt0OqHjrZ |
| Name |
[4-(4-Fluoranyl-2-nitro-5-pyrrolidin-1-yl-phenyl)piperazin-1-yl]-(2-fluorophenyl)methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.165996907 u |
| Formula |
C21H22F2N4O3 |
| InChI |
InChI=1S/C21H22F2N4O3/c22-16-6-2-1-5-15(16)21(28)26-11-9-25(10-12-26)19-14-18(24-7-3-4-8-24)17(23)13-20(19)27(29)30/h1-2,5-6,13-14H,3-4,7-12H2 |
| InChIKey |
BQKRPGBHNXWRKW-UHFFFAOYSA-N |
| Molecular Weight |
416.429 g/mol |
| SMILES |
C1(N(=O)=O)=C(C=C(C(=C1)F)N1CCCC1)N1CCN(C(C=2C(F)=CC=CC2)=O)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838832 |
![[4-(4-Fluoranyl-2-nitro-5-pyrrolidin-1-yl-phenyl)piperazin-1-yl]-(2-fluorophenyl)methanone](/api/spectrum/QMt0OqHjrZ/structure.png?h=300&w=458 "[4-(4-Fluoranyl-2-nitro-5-pyrrolidin-1-yl-phenyl)piperazin-1-yl]-(2-fluorophenyl)methanone")
