![5-Ethyl-5-[2-(2-pyridyl)ethyl]barbituric acid](/api/spectrum/2BMQaK7HQln/structure.png?h=300&w=458 "5-Ethyl-5-[2-(2-pyridyl)ethyl]barbituric acid")
| SpectraBase Compound ID | 2M1nLyaST22 |
|---|---|
| InChI | InChI=1S/C13H15N3O3/c1-2-13(7-6-9-5-3-4-8-14-9)10(17)15-12(19)16-11(13)18/h3-5,8H,2,6-7H2,1H3,(H2,15,16,17,18,19) |
| InChIKey | DMEOBYILPIWDMC-UHFFFAOYSA-N |
| Mol Weight | 261.28 g/mol |
| Molecular Formula | C13H15N3O3 |
| Exact Mass | 261.111341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2BMQaK7HQln |
|---|---|
| Name | 5-Ethyl-5-[2-(2-pyridyl)ethyl]barbituric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.111341352 u |
| Formula | C13H15N3O3 |
| InChI | InChI=1S/C13H15N3O3/c1-2-13(7-6-9-5-3-4-8-14-9)10(17)15-12(19)16-11(13)18/h3-5,8H,2,6-7H2,1H3,(H2,15,16,17,18,19) |
| InChIKey | DMEOBYILPIWDMC-UHFFFAOYSA-N |
| Molecular Weight | 261.281 g/mol |
| SMILES | N1C(NC(C(C1=O)(CCC1=CC=CC=N1)CC)=O)=O |