| SpectraBase Compound ID | 9LyUhfP5wYc |
|---|---|
| InChI | InChI=1S/C12H12N2O3/c15-10-8-11(16)14(12(17)13-10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15,17) |
| InChIKey | MHIKXQXNKSZIGX-UHFFFAOYSA-N |
| Mol Weight | 232.24 g/mol |
| Molecular Formula | C12H12N2O3 |
| Exact Mass | 232.084792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D47Dc82Bcrw |
|---|---|
| Name | Pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(2-phenylethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.084792251 u |
| Formula | C12H12N2O3 |
| InChI | InChI=1S/C12H12N2O3/c15-10-8-11(16)14(12(17)13-10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15,17) |
| InChIKey | MHIKXQXNKSZIGX-UHFFFAOYSA-N |
| Molecular Weight | 232.239 g/mol |
| SMILES | C1=CC=C(C=C1)CCN1C(CC(=O)NC1=O)=O |