| SpectraBase Compound ID | BKnTcEElnIC |
|---|---|
| InChI | InChI=1S/C11H7N3O2/c12-6-8-9(7-4-2-1-3-5-7)13-11(16)14-10(8)15/h1-5H,(H2,13,14,15,16) |
| InChIKey | WEHVDNFYECTOQI-UHFFFAOYSA-N |
| Mol Weight | 213.2 g/mol |
| Molecular Formula | C11H7N3O2 |
| Exact Mass | 213.053826 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GJcz1kCssJP |
|---|---|
| Name | 5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-2,4-dioxo-6-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.053826475 u |
| Formula | C11H7N3O2 |
| InChI | InChI=1S/C11H7N3O2/c12-6-8-9(7-4-2-1-3-5-7)13-11(16)14-10(8)15/h1-5H,(H2,13,14,15,16) |
| InChIKey | WEHVDNFYECTOQI-UHFFFAOYSA-N |
| Molecular Weight | 213.196 g/mol |
| SMILES | C1(=C(NC(NC1=O)=O)C=1C=CC=CC1)C#N |