| SpectraBase Compound ID | 2EM9fidUiaO |
|---|---|
| InChI | InChI=1S/C11H10ClN3O2/c12-8-4-2-1-3-7(8)6-15-9(13)5-10(16)14-11(15)17/h1-5H,6,13H2,(H,14,16,17) |
| InChIKey | MQOJPYCQCAMMKF-UHFFFAOYSA-N |
| Mol Weight | 251.67 g/mol |
| Molecular Formula | C11H10ClN3O2 |
| Exact Mass | 251.046154 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IiZ786COkI4 |
|---|---|
| Name | 6-Amino-1-(2-chlorobenzyl)-4-hydroxy-2(1H)-pyrimidinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.046154272 u |
| Formula | C11H10ClN3O2 |
| InChI | InChI=1S/C11H10ClN3O2/c12-8-4-2-1-3-7(8)6-15-9(13)5-10(16)14-11(15)17/h1-5H,6,13H2,(H,14,16,17) |
| InChIKey | MQOJPYCQCAMMKF-UHFFFAOYSA-N |
| Molecular Weight | 251.673 g/mol |
| SMILES | C(N1C(N)=CC(NC1=O)=O)C1=C(Cl)C=CC=C1 |