| SpectraBase Spectrum ID |
kqcpKQX1la |
| Name |
2-Phenyl-7,8-dihydro-3H-quinazolin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.094963013 u |
| Formula |
C14H12N2O |
| InChI |
InChI=1S/C14H12N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-4,6-8H,5,9H2,(H,15,16,17) |
| InChIKey |
CDPPYFDYPYEYIC-UHFFFAOYSA-N |
| Molecular Weight |
224.263 g/mol |
| SMILES |
C=1(NC(C2=C(N1)CCC=C2)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96242 |
