| SpectraBase Spectrum ID |
Edn31ETsPfB |
| Name |
5-Ethyl-3-methyl-1-methylthiomethyl-5-phenyl-2,4,6-pyrimidinetrione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.103813619 u |
| Formula |
C15H18N2O3S |
| InChI |
InChI=1S/C15H18N2O3S/c1-4-15(11-8-6-5-7-9-11)12(18)16(2)14(20)17(10-21-3)13(15)19/h5-9H,4,10H2,1-3H3 |
| InChIKey |
PEMKOMFBLVYDSQ-UHFFFAOYSA-N |
| Molecular Weight |
306.380 g/mol |
| SMILES |
C1(C(N(C(N(C1=O)C)=O)CSC)=O)(CC)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964248 |
