SpectraBase Spectrum ID |
AZQUOzhhMIs |
Name |
4-(2-Chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
276.066555365 u |
Formula |
C14H13ClN2O2 |
InChI |
InChI=1S/C14H13ClN2O2/c15-9-5-2-1-4-8(9)13-12-10(16-14(19)17-13)6-3-7-11(12)18/h1-2,4-5,13H,3,6-7H2,(H2,16,17,19) |
InChIKey |
PBGRVHDYNFGNCB-UHFFFAOYSA-N |
SMILES |
C1=2C(NC(NC2CCCC1=O)=O)C1=C(Cl)C=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825247 |