| SpectraBase Spectrum ID |
6DHDzSwBbX6 |
| Name |
4-(Methylthio)-5-acetyl-1-ethyl-6-methyl-1H-pyrimidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.077598871 u |
| Formula |
C10H14N2O2S |
| InChI |
InChI=1S/C10H14N2O2S/c1-5-12-6(2)8(7(3)13)9(15-4)11-10(12)14/h5H2,1-4H3 |
| InChIKey |
BGOBUSWLMCZPET-UHFFFAOYSA-N |
| Molecular Weight |
226.294 g/mol |
| SMILES |
C1(N=C(C(=C(N1CC)C)C(=O)C)SC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960845 |
