| SpectraBase Spectrum ID |
GApSL0OyKI6 |
| Name |
2-[1-(4-Bromobenzyl)-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 |
391.020791693 u |
| Formula |
C21H14BrNO2 |
| InChI |
InChI=1S/C21H14BrNO2/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 |
JMMQCXUEDMTRPR-UHFFFAOYSA-N |
| Molecular Weight |
392.252 g/mol |
| SMILES |
C(N1C=CC(C=C1)=C1C(C2=CC=CC=C2C1=O)=O)C1=CC=C(C=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865283 |
![2-[1-(4-Bromobenzyl)-1,4-dihydropyridin-4-ylidene]indan-1,3-dione](/api/spectrum/GApSL0OyKI6/structure.png?h=300&w=458 "2-[1-(4-Bromobenzyl)-1,4-dihydropyridin-4-ylidene]indan-1,3-dione")
