| SpectraBase Spectrum ID |
hTwy460lPH |
| Name |
2-(para-Chlorophenyl)-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 |
258.055990681 u |
| Formula |
C14H11ClN2O |
| InChI |
InChI=1S/C14H11ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1,3,5-8H,2,4H2,(H,16,17,18) |
| InChIKey |
FSCXBLNSNVRHDS-UHFFFAOYSA-N |
| Molecular Weight |
258.708 g/mol |
| SMILES |
C=1(NC(C2=C(N1)CCC=C2)=O)C1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853746 |
