![5-[(Tert-butylamino)methylene]-1,3-dimethyl-barbituric acid](/api/spectrum/7iulqsBwbNb/structure.png?h=300&w=458 "5-[(Tert-butylamino)methylene]-1,3-dimethyl-barbituric acid")
| SpectraBase Compound ID | DrHYWvtLojg |
|---|---|
| InChI | InChI=1S/C11H17N3O3/c1-11(2,3)12-6-7-8(15)13(4)10(17)14(5)9(7)16/h6,12H,1-5H3 |
| InChIKey | FSUCHASPDSTROV-UHFFFAOYSA-N |
| Mol Weight | 239.27 g/mol |
| Molecular Formula | C11H17N3O3 |
| Exact Mass | 239.126991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7iulqsBwbNb |
|---|---|
| Name | 5-[(Tert-butylamino)methylene]-1,3-dimethyl-barbituric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.126991416 u |
| Formula | C11H17N3O3 |
| InChI | InChI=1S/C11H17N3O3/c1-11(2,3)12-6-7-8(15)13(4)10(17)14(5)9(7)16/h6,12H,1-5H3 |
| InChIKey | FSUCHASPDSTROV-UHFFFAOYSA-N |
| Molecular Weight | 239.275 g/mol |
| SMILES | C1(N(C(C(C(N1C)=O)=CNC(C)(C)C)=O)C)=O |