| SpectraBase Spectrum ID |
QZLNWmitDJ |
| Name |
2-(Diethylamino)-5-methyl-3-phenyl-6-tosyl-4(3H)-pyrimidinon |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.161662848 u |
| Formula |
C22H25N3O3S |
| InChI |
InChI=1S/C22H25N3O3S/c1-5-24(6-2)22-23-20(29(27,28)19-14-12-16(3)13-15-19)17(4)21(26)25(22)18-10-8-7-9-11-18/h7-15H,5-6H2,1-4H3 |
| InChIKey |
BEPVJQYFGLTMIJ-UHFFFAOYSA-N |
| Molecular Weight |
411.520 g/mol |
| SMILES |
C=1(N=C(N(CC)CC)N(C(C1C)=O)C=1C=CC=CC1)S(C=1C=CC(=CC1)C)(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934087 |
