| SpectraBase Compound ID | AzjroniokBC |
|---|---|
| InChI | InChI=1S/C11H13N3O2/c12-6-8-7-14(11(16)13-10(8)15)9-4-2-1-3-5-9/h7,9H,1-5H2,(H,13,15,16) |
| InChIKey | JLSXEXIHECOGFB-UHFFFAOYSA-N |
| Mol Weight | 219.24 g/mol |
| Molecular Formula | C11H13N3O2 |
| Exact Mass | 219.100777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L0R7KEJrQ1f |
|---|---|
| Name | Pyrimidine-5-carbonitrile, 1,2,3,4-tetrahydro-1-cyclohexyl-2,4-dioxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.100776669 u |
| Formula | C11H13N3O2 |
| InChI | InChI=1S/C11H13N3O2/c12-6-8-7-14(11(16)13-10(8)15)9-4-2-1-3-5-9/h7,9H,1-5H2,(H,13,15,16) |
| InChIKey | JLSXEXIHECOGFB-UHFFFAOYSA-N |
| Molecular Weight | 219.244 g/mol |
| SMILES | C1(NC(C(=CN1C1CCCCC1)C#N)=O)=O |