| SpectraBase Spectrum ID |
KcPouSLocOT |
| Name |
Piperazine, 1-(2-fluorobenzoyl)-4-diphenylacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.174356150 u |
| Formula |
C25H23FN2O2 |
| InChI |
InChI=1S/C25H23FN2O2/c26-22-14-8-7-13-21(22)24(29)27-15-17-28(18-16-27)25(30)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2 |
| InChIKey |
YXWNFOWCQDRNOC-UHFFFAOYSA-N |
| Molecular Weight |
402.469 g/mol |
| SMILES |
C1(=CC=CC=C1)C(C1=CC=CC=C1)C(=O)N1CCN(CC1)C(C1=C(C=CC=C1)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860769 |