| SpectraBase Spectrum ID |
4zoMp4r2pXJ |
| Name |
Methyl 2-(ethoxycarbonyl)-3-(1',2',3',4'-tetrahydro-1',3'-dimethyl-2',4'-dioxopyrimidin-5'-yl)propanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.116486302 u |
| Formula |
C13H18N2O6 |
| InChI |
InChI=1S/C13H18N2O6/c1-5-21-12(18)9(11(17)20-4)6-8-7-14(2)13(19)15(3)10(8)16/h7,9H,5-6H2,1-4H3 |
| InChIKey |
NVYDAHVGFODOOF-UHFFFAOYSA-N |
| SMILES |
C1(N(C(C(=CN1C)CC(C(=O)OC)C(=O)OCC)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929767 |
