| SpectraBase Compound ID | 6IbQbeSM8XX |
|---|---|
| InChI | InChI=1S/C8H9F2N3O2/c9-5-4-6(10)13-8(12-5)11-3-1-2-7(14)15/h4H,1-3H2,(H,14,15)(H,11,12,13) |
| InChIKey | UNJNYBFFPCZPKH-UHFFFAOYSA-N |
| Mol Weight | 217.18 g/mol |
| Molecular Formula | C8H9F2N3O2 |
| Exact Mass | 217.066283 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | nnMBdZmGzN |
|---|---|
| Name | 4-(4,6-Difluoro-pyrimidin-2-ylamino)-butyric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.066282866 u |
| Formula | C8H9F2N3O2 |
| InChI | InChI=1S/C8H9F2N3O2/c9-5-4-6(10)13-8(12-5)11-3-1-2-7(14)15/h4H,1-3H2,(H,14,15)(H,11,12,13) |
| InChIKey | UNJNYBFFPCZPKH-UHFFFAOYSA-N |
| Molecular Weight | 217.176 g/mol |
| SMILES | C(CC(=O)O)CNC1=NC(=CC(=N1)F)F |