SpectraBase Spectrum ID |
8Na2Es3E9Fn |
Name |
Isoindolo[2,1-A]quinazolin-5(11H)-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
234.079312949 u |
Formula |
C15H10N2O |
InChI |
InChI=1S/C15H10N2O/c18-15-12-7-3-4-8-13(12)17-9-10-5-1-2-6-11(10)14(17)16-15/h1-8H,9H2 |
InChIKey |
XFTFEVDUFOHBTF-UHFFFAOYSA-N |
Molecular Weight |
234.258 g/mol |
SMILES |
C12=CC=CC=C2C2=NC(=O)C=3C=CC=CC3N2C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801602 |