| SpectraBase Spectrum ID |
7RiJMrAX3rk |
| Name |
2-[1-(4-Chlorobenzyl)-1,4-dihydropyridin-4-ylidene]indan-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.071306393 u |
| Formula |
C21H14ClNO2 |
| InChI |
InChI=1S/C21H14ClNO2/c22-16-7-5-14(6-8-16)13-23-11-9-15(10-12-23)19-20(24)17-3-1-2-4-18(17)21(19)25/h1-12H,13H2 |
| InChIKey |
MJNZBFLRCOKWIU-UHFFFAOYSA-N |
| Molecular Weight |
347.801 g/mol |
| SMILES |
C1=CC=C2C(=C1)C(C(C2=O)=C1C=CN(CC2=CC=C(C=C2)Cl)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894853 |
![2-[1-(4-Chlorobenzyl)-1,4-dihydropyridin-4-ylidene]indan-1,3-dione](/api/spectrum/7RiJMrAX3rk/structure.png?h=300&w=458 "2-[1-(4-Chlorobenzyl)-1,4-dihydropyridin-4-ylidene]indan-1,3-dione")
