| SpectraBase Spectrum ID |
EKsq868BdMU |
| Name |
2-(1-Benzyl-1,4-dihydropyridin-4-yliden)-1,3-dioxoindan |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.110278725 u |
| Formula |
C21H15NO2 |
| InChI |
InChI=1S/C21H15NO2/c23-20-17-8-4-5-9-18(17)21(24)19(20)16-10-12-22(13-11-16)14-15-6-2-1-3-7-15/h1-13H,14H2 |
| InChIKey |
JZLCKHOFUIRSKY-UHFFFAOYSA-N |
| Molecular Weight |
313.356 g/mol |
| SMILES |
C(N1C=CC(C=C1)=C1C(C2=CC=CC=C2C1=O)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959561 |
