![4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6,7,8,9-tetrahydro-4-oxo-, ethyl ester](/api/spectrum/3qKnFOCtZO2/structure.png?h=300&w=458 "4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6,7,8,9-tetrahydro-4-oxo-, ethyl ester")
| SpectraBase Compound ID | FknLbQ04YZj |
|---|---|
| InChI | InChI=1S/C12H16N2O3/c1-2-17-11(15)7-9-8-13-10-5-3-4-6-14(10)12(9)16/h8H,2-7H2,1H3 |
| InChIKey | GPICITVVVLYZNF-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C12H16N2O3 |
| Exact Mass | 236.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3qKnFOCtZO2 |
|---|---|
| Name | 4H-Pyrido[1,2-A]pyrimidine-3-acetic acid, 6,7,8,9-tetrahydro-4-oxo-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.116092380 u |
| Formula | C12H16N2O3 |
| InChI | InChI=1S/C12H16N2O3/c1-2-17-11(15)7-9-8-13-10-5-3-4-6-14(10)12(9)16/h8H,2-7H2,1H3 |
| InChIKey | GPICITVVVLYZNF-UHFFFAOYSA-N |
| Molecular Weight | 236.271 g/mol |
| SMILES | C1(=O)N2C(=NC=C1CC(OCC)=O)CCCC2 |