SpectraBase Spectrum ID |
84qnvVtIJJx |
Name |
1,2-Dimethyl-1,4-dihydro-4(1,3-dioxoindan-2-ylidene)quinoline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
301.110278725 u |
Formula |
C20H15NO2 |
InChI |
InChI=1S/C20H15NO2/c1-12-11-16(13-7-5-6-10-17(13)21(12)2)18-19(22)14-8-3-4-9-15(14)20(18)23/h3-11H,1-2H3 |
InChIKey |
BALFHQPWPJNMHB-UHFFFAOYSA-N |
SMILES |
C12=CC=CC=C2C(=O)C(C1=O)=C1C=2C(N(C(=C1)C)C)=CC=CC2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827229 |