SpectraBase Spectrum ID |
4O5QrKm7dlk |
Name |
12H-Quino[2,1-B]quinazolin-12-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
246.079312949 u |
Formula |
C16H10N2O |
InChI |
InChI=1S/C16H10N2O/c19-16-12-6-2-3-7-13(12)17-15-10-9-11-5-1-4-8-14(11)18(15)16/h1-10H |
InChIKey |
ARAQKIMDZMHUJL-UHFFFAOYSA-N |
Molecular Weight |
246.269 g/mol |
SMILES |
C1(N2C(=NC=3C=CC=CC13)C=CC1=C2C=CC=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94559 |