| SpectraBase Spectrum ID |
HzFd47XEMiB |
| Name |
2-[1-(3-Methylbenzyl)-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 |
327.125928789 u |
| Formula |
C22H17NO2 |
| InChI |
InChI=1S/C22H17NO2/c1-15-5-4-6-16(13-15)14-23-11-9-17(10-12-23)20-21(24)18-7-2-3-8-19(18)22(20)25/h2-13H,14H2,1H3 |
| InChIKey |
LKMWZWMAFYSPSQ-UHFFFAOYSA-N |
| Molecular Weight |
327.383 g/mol |
| SMILES |
C(N1C=CC(C=C1)=C1C(C2=CC=CC=C2C1=O)=O)C1=CC=CC(=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867905 |
![2-[1-(3-Methylbenzyl)-1,4-dihydropyridin-4-ylidene]-indan-1,3-dione](/api/spectrum/HzFd47XEMiB/structure.png?h=300&w=458 "2-[1-(3-Methylbenzyl)-1,4-dihydropyridin-4-ylidene]-indan-1,3-dione")
