| SpectraBase Compound ID | FDyqEwIVpYa |
|---|---|
| InChI | InChI=1S/C12H18N2O3/c1-6-7-12(8(2)3)9(15)13(4)11(17)14(5)10(12)16/h6,8H,1,7H2,2-5H3 |
| InChIKey | VWSMYPQLKQLMPN-UHFFFAOYSA-N |
| Mol Weight | 238.29 g/mol |
| Molecular Formula | C12H18N2O3 |
| Exact Mass | 238.131742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D5JFf8oql56 |
|---|---|
| Name | Barbituric acid, 5-allyl-5-isopropyl-1,3-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.131742445 u |
| Formula | C12H18N2O3 |
| InChI | InChI=1S/C12H18N2O3/c1-6-7-12(8(2)3)9(15)13(4)11(17)14(5)10(12)16/h6,8H,1,7H2,2-5H3 |
| InChIKey | VWSMYPQLKQLMPN-UHFFFAOYSA-N |
| Molecular Weight | 238.287 g/mol |
| SMILES | C(C=C)C1(C(C)C)C(=O)N(C)C(N(C1=O)C)=O |