| SpectraBase Compound ID | 5HFcPHTHOkV |
|---|---|
| InChI | InChI=1S/C16H26N4O2/c1-4-5-6-7-8-9-10-11-20-15(21)13-14(17-12-18(13)2)19(3)16(20)22/h12H,4-11H2,1-3H3 |
| InChIKey | NESZGCKKDZYTGF-UHFFFAOYSA-N |
| Mol Weight | 306.41 g/mol |
| Molecular Formula | C16H26N4O2 |
| Exact Mass | 306.205576 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JIDkyTGzEgF |
|---|---|
| Name | 3,7-Dimethyl-1-nonyl-3,7-dihydro-1H-purine-2,6-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.205576091 u |
| Formula | C16H26N4O2 |
| InChI | InChI=1S/C16H26N4O2/c1-4-5-6-7-8-9-10-11-20-15(21)13-14(17-12-18(13)2)19(3)16(20)22/h12H,4-11H2,1-3H3 |
| InChIKey | NESZGCKKDZYTGF-UHFFFAOYSA-N |
| SMILES | C12=C(C(=O)N(C(N2C)=O)CCCCCCCCC)N(C)C=N1 |