| SpectraBase Spectrum ID |
F19n1P8iTwy |
| Name |
2-oxo-4-Phenyl-6-(4-chlorophenyl)-1,2-dihydropyrimidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.055990681 u |
| Formula |
C16H11ClN2O |
| InChI |
InChI=1S/C16H11ClN2O/c17-13-8-6-12(7-9-13)15-10-14(18-16(20)19-15)11-4-2-1-3-5-11/h1-10H,(H,18,19,20) |
| InChIKey |
GOBHMMCUKZFUKP-UHFFFAOYSA-N |
| SMILES |
C1=CC=CC=C1C=1C=C(NC(N1)=O)C1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884717 |
