| SpectraBase Spectrum ID |
LYoZG1JVqAw |
| Name |
5-(4-Benzyl-6-chloro-3-oxo-5-phenyl-3,4-dihydro-2-pyrazinyl)-2-methoxybenzaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.108420177 u |
| Formula |
C25H19ClN2O3 |
| InChI |
InChI=1S/C25H19ClN2O3/c1-31-21-13-12-19(14-20(21)16-29)22-25(30)28(15-17-8-4-2-5-9-17)23(24(26)27-22)18-10-6-3-7-11-18/h2-14,16H,15H2,1H3 |
| InChIKey |
YKOJRDRSYHZJCW-UHFFFAOYSA-N |
| Molecular Weight |
430.891 g/mol |
| SMILES |
C(C=1C(=CC=C(C1)C=1C(N(C(=C(N1)Cl)C=1C=CC=CC1)CC=1C=CC=CC1)=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887725 |
