| SpectraBase Compound ID | CYOFa7n5tGd |
|---|---|
| InChI | InChI=1S/C12H12N4O2/c1-7-6-10(16-12(13)14-7)15-9-4-2-8(3-5-9)11(17)18/h2-6H,1H3,(H,17,18)(H3,13,14,15,16) |
| InChIKey | ACABARVIRZLTTK-UHFFFAOYSA-N |
| Mol Weight | 244.25 g/mol |
| Molecular Formula | C12H12N4O2 |
| Exact Mass | 244.096026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CwokVhac0sD |
|---|---|
| Name | p-(2-Amino-6-methyl-4-pyrimidinylamino)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.096025640 u |
| Formula | C12H12N4O2 |
| InChI | InChI=1S/C12H12N4O2/c1-7-6-10(16-12(13)14-7)15-9-4-2-8(3-5-9)11(17)18/h2-6H,1H3,(H,17,18)(H3,13,14,15,16) |
| InChIKey | ACABARVIRZLTTK-UHFFFAOYSA-N |
| Molecular Weight | 244.254 g/mol |
| SMILES | C1=C(NC2=NC(=NC(=C2)C)N)C=CC(=C1)C(=O)O |