| SpectraBase Spectrum ID |
LxW6aU5EQid |
| Name |
2-(2'-Chlorobenzyl)-4H-pyrimidin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.040340617 u |
| Formula |
C11H9ClN2O |
| InChI |
InChI=1S/C11H9ClN2O/c12-9-4-2-1-3-8(9)7-10-13-6-5-11(15)14-10/h1-6H,7H2,(H,13,14,15) |
| InChIKey |
YKYUEXPXFFVSGV-UHFFFAOYSA-N |
| Molecular Weight |
220.659 g/mol |
| SMILES |
C=1(NC(C=CN1)=O)CC=1C(Cl)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923188 |
