![4-Ketopyrido[1,2-A]pyrimidine-3-carbonitrile](/api/spectrum/DLP7EEoejHE/structure.png?h=300&w=458 "4-Ketopyrido[1,2-A]pyrimidine-3-carbonitrile")
| SpectraBase Compound ID | InAaOpxykaz |
|---|---|
| InChI | InChI=1S/C9H5N3O/c10-5-7-6-11-8-3-1-2-4-12(8)9(7)13/h1-4,6H |
| InChIKey | ZHUGMHHNJBXFEP-UHFFFAOYSA-N |
| Mol Weight | 171.16 g/mol |
| Molecular Formula | C9H5N3O |
| Exact Mass | 171.043262 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DLP7EEoejHE |
|---|---|
| Name | 4-Ketopyrido[1,2-A]pyrimidine-3-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.043261792 u |
| Formula | C9H5N3O |
| InChI | InChI=1S/C9H5N3O/c10-5-7-6-11-8-3-1-2-4-12(8)9(7)13/h1-4,6H |
| InChIKey | ZHUGMHHNJBXFEP-UHFFFAOYSA-N |
| Molecular Weight | 171.159 g/mol |
| SMILES | C1(N2C(=NC=C1C#N)C=CC=C2)=O |