| SpectraBase Spectrum ID |
8XAmUIGTtgu |
| Name |
Acetamide, 2-chloro-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.041068891 u |
| Formula |
C8H10ClN3O3 |
| InChI |
InChI=1S/C8H10ClN3O3/c1-11-5(10-6(13)4-9)3-7(14)12(2)8(11)15/h3H,4H2,1-2H3,(H,10,13) |
| InChIKey |
HMSZMICYINCVMI-UHFFFAOYSA-N |
| Molecular Weight |
231.639 g/mol |
| SMILES |
C1(=CC(N(C(N1C)=O)C)=O)NC(CCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984277 |
