![4-[(Pyrimidin-2-yl)amino]benzoic acid](/api/spectrum/vVrdeHtFKt/structure.png?h=300&w=458 "4-[(Pyrimidin-2-yl)amino]benzoic acid")
| SpectraBase Compound ID | 92Y67HSr6qo |
|---|---|
| InChI | InChI=1S/C11H9N3O2/c15-10(16)8-2-4-9(5-3-8)14-11-12-6-1-7-13-11/h1-7H,(H,15,16)(H,12,13,14) |
| InChIKey | ZBDXNIXEOKDJKQ-UHFFFAOYSA-N |
| Mol Weight | 215.21 g/mol |
| Molecular Formula | C11H9N3O2 |
| Exact Mass | 215.069477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | vVrdeHtFKt |
|---|---|
| Name | 4-[(Pyrimidin-2-yl)amino]benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.069476540 u |
| Formula | C11H9N3O2 |
| InChI | InChI=1S/C11H9N3O2/c15-10(16)8-2-4-9(5-3-8)14-11-12-6-1-7-13-11/h1-7H,(H,15,16)(H,12,13,14) |
| InChIKey | ZBDXNIXEOKDJKQ-UHFFFAOYSA-N |
| Molecular Weight | 215.212 g/mol |
| SMILES | C1(NC2=CC=C(C(=O)O)C=C2)=NC=CC=N1 |