| SpectraBase Compound ID | DJ82jBa1ofC |
|---|---|
| InChI | InChI=1S/C11H16N4O2/c1-4-5-6-15-9-8(13(2)7-12-9)10(16)14(3)11(15)17/h7H,4-6H2,1-3H3 |
| InChIKey | LDYDPOMEZGHKTD-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C11H16N4O2 |
| Exact Mass | 236.127326 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 681psIENvpV |
|---|---|
| Name | 3-Butyl-1,7-dimethyl-purine-2,6-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.127325769 u |
| Formula | C11H16N4O2 |
| InChI | InChI=1S/C11H16N4O2/c1-4-5-6-15-9-8(13(2)7-12-9)10(16)14(3)11(15)17/h7H,4-6H2,1-3H3 |
| InChIKey | LDYDPOMEZGHKTD-UHFFFAOYSA-N |
| Molecular Weight | 236.275 g/mol |
| SMILES | C12=C(C(=O)N(C(N2CCCC)=O)C)N(C)C=N1 |