| SpectraBase Spectrum ID |
2TmgEmqwi0i |
| Name |
2-Phenylpyrimido(2,1-A)isoindol-4(6H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.094963013 u |
| Formula |
C17H12N2O |
| InChI |
InChI=1S/C17H12N2O/c20-16-10-15(12-6-2-1-3-7-12)18-17-14-9-5-4-8-13(14)11-19(16)17/h1-10H,11H2 |
| InChIKey |
QGYKUCMSHKXQNQ-UHFFFAOYSA-N |
| Molecular Weight |
260.296 g/mol |
| SMILES |
C12=CC=CC=C2CN2C1=NC(=CC2=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940305 |
