| SpectraBase Compound ID | 9RaAXHZZ7KN |
|---|---|
| InChI | InChI=1S/C12H17N5O2/c1-2-3-6-19-9(18)4-5-17-8-16-10-11(13)14-7-15-12(10)17/h7-8H,2-6H2,1H3,(H2,13,14,15) |
| InChIKey | WTIZUZJAJXFTEO-UHFFFAOYSA-N |
| Mol Weight | 263.3 g/mol |
| Molecular Formula | C12H17N5O2 |
| Exact Mass | 263.138225 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HhI15o7zdRW |
|---|---|
| Name | 3-(6-Aminopurin-9-yl)propanoic acid butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.138224805 u |
| Formula | C12H17N5O2 |
| InChI | InChI=1S/C12H17N5O2/c1-2-3-6-19-9(18)4-5-17-8-16-10-11(13)14-7-15-12(10)17/h7-8H,2-6H2,1H3,(H2,13,14,15) |
| InChIKey | WTIZUZJAJXFTEO-UHFFFAOYSA-N |
| SMILES | C(CCN1C=NC=2C1=NC=NC2N)(=O)OCCCC |