| SpectraBase Compound ID | Cj9dTL5DQEB |
|---|---|
| InChI | InChI=1S/C14H14N2O4/c1-8(17)7-10(9-5-3-2-4-6-9)11-12(18)15-14(20)16-13(11)19/h2-6,10-11H,7H2,1H3,(H2,15,16,18,19,20) |
| InChIKey | OAHIOAKIKWDFBC-UHFFFAOYSA-N |
| Mol Weight | 274.28 g/mol |
| Molecular Formula | C14H14N2O4 |
| Exact Mass | 274.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JnNfoM08XDl |
|---|---|
| Name | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3-oxo-1-phenylbutyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.095356935 u |
| Formula | C14H14N2O4 |
| InChI | InChI=1S/C14H14N2O4/c1-8(17)7-10(9-5-3-2-4-6-9)11-12(18)15-14(20)16-13(11)19/h2-6,10-11H,7H2,1H3,(H2,15,16,18,19,20) |
| InChIKey | OAHIOAKIKWDFBC-UHFFFAOYSA-N |
| SMILES | C1(C(C(=O)NC(N1)=O)C(CC(=O)C)C1=CC=CC=C1)=O |