SpectraBase Spectrum ID |
HDFeyCSpHTL |
Name |
3-Carbamoyl-5-ethyl-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
224.079706870 u |
Formula |
C10H12N2O4 |
InChI |
InChI=1S/C10H12N2O4/c1-3-5-4(2)12-9(14)7(8(11)13)6(5)10(15)16/h3H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16) |
InChIKey |
GVJXCHYVPQCKTO-UHFFFAOYSA-N |
Molecular Weight |
224.216 g/mol |
SMILES |
C1(=C(C(=C(C(N)=O)C(N1)=O)C(O)=O)CC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979089 |