![5-{[(2-phenylethyl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione](/api/spectrum/5Oa9RgqDdPD/structure.png?h=300&w=458 "5-{[(2-phenylethyl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione")
| SpectraBase Compound ID | IRcfhZfGUqR |
|---|---|
| InChI | InChI=1S/C13H13N3O3/c17-11-10(12(18)16-13(19)15-11)8-14-7-6-9-4-2-1-3-5-9/h1-5,8,14H,6-7H2,(H2,15,16,17,18,19) |
| InChIKey | ARSWOMLIZQSTRQ-UHFFFAOYSA-N |
| Mol Weight | 259.26 g/mol |
| Molecular Formula | C13H13N3O3 |
| Exact Mass | 259.095691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Oa9RgqDdPD |
|---|---|
| Name | 5-{[(2-phenylethyl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.095691288 u |
| Formula | C13H13N3O3 |
| InChI | InChI=1S/C13H13N3O3/c17-11-10(12(18)16-13(19)15-11)8-14-7-6-9-4-2-1-3-5-9/h1-5,8,14H,6-7H2,(H2,15,16,17,18,19) |
| InChIKey | ARSWOMLIZQSTRQ-UHFFFAOYSA-N |
| SMILES | N1C(NC(C(=CNCCC=2C=CC=CC2)C1=O)=O)=O |