| SpectraBase Spectrum ID |
KN5z4HqzHWm |
| Name |
1-(2-Chloro-phenyl)-5-(4-methoxy-benzyl)-pyrimidine-2,4,6-trione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.072034667 u |
| Formula |
C18H15ClN2O4 |
| InChI |
InChI=1S/C18H15ClN2O4/c1-25-12-8-6-11(7-9-12)10-13-16(22)20-18(24)21(17(13)23)15-5-3-2-4-14(15)19/h2-9,13H,10H2,1H3,(H,20,22,24) |
| InChIKey |
ZPANUEXREQGVDH-UHFFFAOYSA-N |
| Molecular Weight |
358.781 g/mol |
| SMILES |
C1=CC=C(N2C(NC(=O)C(C2=O)CC2=CC=C(OC)C=C2)=O)C(=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960586 |
