| SpectraBase Compound ID | 9M8UFk2oofv |
|---|---|
| InChI | InChI=1S/C12H16N4O3/c17-10(2-3-11(18)19)15-6-8-16(9-7-15)12-13-4-1-5-14-12/h1,4-5H,2-3,6-9H2,(H,18,19) |
| InChIKey | GOLFKHJNLTVYSL-UHFFFAOYSA-N |
| Mol Weight | 264.28 g/mol |
| Molecular Formula | C12H16N4O3 |
| Exact Mass | 264.12224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KVW26KxLHOT |
|---|---|
| Name | 4-oxo-4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.122240388 u |
| Formula | C12H16N4O3 |
| InChI | InChI=1S/C12H16N4O3/c17-10(2-3-11(18)19)15-6-8-16(9-7-15)12-13-4-1-5-14-12/h1,4-5H,2-3,6-9H2,(H,18,19) |
| InChIKey | GOLFKHJNLTVYSL-UHFFFAOYSA-N |
| Molecular Weight | 264.285 g/mol |
| SMILES | C1(=NC=CC=N1)N1CCN(CC1)C(CCC(O)=O)=O |