| SpectraBase Spectrum ID |
3qqifuxRRAg |
| Name |
5-Benzylidene-2-(butylamino)-3-(p-chlorophenyl)-4H-imidazolin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.129489975 u |
| Formula |
C20H20ClN3O |
| InChI |
InChI=1S/C20H20ClN3O/c1-2-3-13-22-20-23-18(14-15-7-5-4-6-8-15)19(25)24(20)17-11-9-16(21)10-12-17/h4-12,14H,2-3,13H2,1H3,(H,22,23)/b18-14- |
| InChIKey |
BPSQDEDTOQPEDT-JXAWBTAJSA-N |
| Molecular Weight |
353.853 g/mol |
| SMILES |
C=1(N(C(\C(N1)=C\C=1C=CC=CC1)=O)C=1C=CC(=CC1)Cl)NCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918478 |
