| SpectraBase Spectrum ID |
nR4lqEaIaT |
| Name |
4-Phenylpyrimido(2,1-A)isoindol-2(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)19-11-13-8-4-5-9-14(13)17(19)18-16/h1-10H,11H2 |
| InChIKey |
WPXAUCRGNUQQEG-UHFFFAOYSA-N |
| Molecular Weight |
260.296 g/mol |
| SMILES |
C12=CC=CC=C2CN2C1=NC(=O)C=C2C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900561 |
