SpectraBase Spectrum ID |
GJ4NvrYkRb3 |
Name |
6-Phenyl-6,6A-dihydroisoindolo[2,1-A]quinazoline-5,11-dione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
326.105527697 u |
Formula |
C21H14N2O2 |
InChI |
InChI=1S/C21H14N2O2/c24-20-16-11-5-4-10-15(16)19-22(14-8-2-1-3-9-14)21(25)17-12-6-7-13-18(17)23(19)20/h1-13,19H |
InChIKey |
MUXMMHQBAPZLMA-UHFFFAOYSA-N |
Molecular Weight |
326.355 g/mol |
SMILES |
C12N(C3=C(C(N2C2=CC=CC=C2)=O)C=CC=C3)C(C2=C1C=CC=C2)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943193 |