SpectraBase Spectrum ID |
HJRTmclwiDX |
Name |
Indolo[3',2':3,4]pyridazino[6,1-B]quinazolin-7(14H)-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
286.085460957 u |
Formula |
C17H10N4O |
InChI |
InChI=1S/C17H10N4O/c22-17-11-6-2-4-8-13(11)19-15-9-14-16(20-21(15)17)10-5-1-3-7-12(10)18-14/h1-9,18H |
InChIKey |
PTJLANRCOVGWEV-UHFFFAOYSA-N |
SMILES |
C12=C(C=CC=C2)NC=2C1=NN1C(C2)=NC=2C=CC=CC2C1=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812051 |