| SpectraBase Spectrum ID |
GebS49jMLyt |
| Name |
1-(4-Cinnamylpiperazin-1-yl)-2-phenylethane-1,2-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.168127954 u |
| Formula |
C21H22N2O2 |
| InChI |
InChI=1S/C21H22N2O2/c24-20(19-11-5-2-6-12-19)21(25)23-16-14-22(15-17-23)13-7-10-18-8-3-1-4-9-18/h1-12H,13-17H2/b10-7+ |
| InChIKey |
LKAAKDODWQVTQZ-JXMROGBWSA-N |
| Molecular Weight |
334.419 g/mol |
| SMILES |
C(C(=O)C1=CC=CC=C1)(=O)N1CCN(CC1)C\C=C\C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960823 |
