| SpectraBase Compound ID | 8xXJP4ktIZW |
|---|---|
| InChI | InChI=1S/C12H16N2O3/c1-5-7-12(8-6-2)9(15)13(3)11(17)14(4)10(12)16/h5-6H,1-2,7-8H2,3-4H3 |
| InChIKey | MCTNRBUJWLUDJG-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C12H16N2O3 |
| Exact Mass | 236.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1WCz4ZBQpWW |
|---|---|
| Name | Barbituric acid, 5,5-diallyl-1,3-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.116092380 u |
| Formula | C12H16N2O3 |
| InChI | InChI=1S/C12H16N2O3/c1-5-7-12(8-6-2)9(15)13(3)11(17)14(4)10(12)16/h5-6H,1-2,7-8H2,3-4H3 |
| InChIKey | MCTNRBUJWLUDJG-UHFFFAOYSA-N |
| Molecular Weight | 236.271 g/mol |
| SMILES | C(C=C)C1(CC=C)C(=O)N(C)C(N(C1=O)C)=O |