| SpectraBase Spectrum ID |
4jC5i6wFfVz |
| Name |
5-[1-(2,6-Dichlorobenzyl)-1,4-dihydropyridin-4-ylidene]-1,3-dimethyl-hexahydropyrimidin-2,4,6-trione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.049046752 u |
| Formula |
C18H15Cl2N3O3 |
| InChI |
InChI=1S/C18H15Cl2N3O3/c1-21-16(24)15(17(25)22(2)18(21)26)11-6-8-23(9-7-11)10-12-13(19)4-3-5-14(12)20/h3-9H,10H2,1-2H3 |
| InChIKey |
JRDKFHWVMCCCJN-UHFFFAOYSA-N |
| Molecular Weight |
392.242 g/mol |
| SMILES |
C(N1C=CC(C=C1)=C1C(N(C(N(C1=O)C)=O)C)=O)C1=C(C=CC=C1Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964953 |
![5-[1-(2,6-Dichlorobenzyl)-1,4-dihydropyridin-4-ylidene]-1,3-dimethyl-hexahydropyrimidin-2,4,6-trione](/api/spectrum/4jC5i6wFfVz/structure.png?h=300&w=458 "5-[1-(2,6-Dichlorobenzyl)-1,4-dihydropyridin-4-ylidene]-1,3-dimethyl-hexahydropyrimidin-2,4,6-trione")
