| SpectraBase Spectrum ID |
G9MmSJzNAlH |
| Name |
Piperazine-2,6-dione, 3-(4-fluorobenzylidene)-5-(2-oxo-2-phenylethylidene)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.091020447 u |
| Formula |
C19H13FN2O3 |
| InChI |
InChI=1S/C19H13FN2O3/c20-14-8-6-12(7-9-14)10-15-18(24)22-19(25)16(21-15)11-17(23)13-4-2-1-3-5-13/h1-11,21H,(H,22,24,25)/b15-10+,16-11+ |
| InChIKey |
GSOQJBQLXPJMHP-RWPWKDLBSA-N |
| Molecular Weight |
336.322 g/mol |
| SMILES |
C1=CC=C(C=C1)C(\C=C/1C(NC(\C(N1)=C/C1=CC=C(C=C1)F)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92923 |
