| SpectraBase Compound ID | 2WUBku6OLTl |
|---|---|
| InChI | InChI=1S/C12H13N3O3/c1-18-9-4-2-8(3-5-9)7-15-10(13)6-11(16)14-12(15)17/h2-6H,7,13H2,1H3,(H,14,16,17) |
| InChIKey | UDFDHBNPYGFDSI-UHFFFAOYSA-N |
| Mol Weight | 247.25 g/mol |
| Molecular Formula | C12H13N3O3 |
| Exact Mass | 247.095691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Ouyg2Xfgu9 |
|---|---|
| Name | 6-Amino-4-hydroxy-1-(4-methoxybenzyl)-2(1H)-pyrimidinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.095691288 u |
| Formula | C12H13N3O3 |
| InChI | InChI=1S/C12H13N3O3/c1-18-9-4-2-8(3-5-9)7-15-10(13)6-11(16)14-12(15)17/h2-6H,7,13H2,1H3,(H,14,16,17) |
| InChIKey | UDFDHBNPYGFDSI-UHFFFAOYSA-N |
| Molecular Weight | 247.254 g/mol |
| SMILES | C=1(N(C(NC(C1)=O)=O)CC1=CC=C(C=C1)OC)N |