SpectraBase Spectrum ID |
H2Eer5hOGt2 |
Name |
8-Chloroisoindolo[1,2-B]quinazolin-10(12H)-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
268.040340617 u |
Formula |
C15H9ClN2O |
InChI |
InChI=1S/C15H9ClN2O/c16-10-5-6-13-12(7-10)15(19)18-8-9-3-1-2-4-11(9)14(18)17-13/h1-7H,8H2 |
InChIKey |
ZMXMZAFLKANDLS-UHFFFAOYSA-N |
SMILES |
C12=NC3=C(C(N2CC2=C1C=CC=C2)=O)C=C(C=C3)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898419 |