| SpectraBase Compound ID | Appa8ijAi7a |
|---|---|
| InChI | InChI=1S/C11H14N4O4/c1-4-19-7(16)5-15-10(17)8-9(12-6-13(8)2)14(3)11(15)18/h6H,4-5H2,1-3H3 |
| InChIKey | FPVZRTFTMXAZJO-UHFFFAOYSA-N |
| Mol Weight | 266.26 g/mol |
| Molecular Formula | C11H14N4O4 |
| Exact Mass | 266.101505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ji21ktEYXpi |
|---|---|
| Name | 3,7-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine-1-acetic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.101504943 u |
| Formula | C11H14N4O4 |
| InChI | InChI=1S/C11H14N4O4/c1-4-19-7(16)5-15-10(17)8-9(12-6-13(8)2)14(3)11(15)18/h6H,4-5H2,1-3H3 |
| InChIKey | FPVZRTFTMXAZJO-UHFFFAOYSA-N |
| SMILES | C=12C(N(C(N(C1N=CN2C)C)=O)CC(OCC)=O)=O |