![2S-9-[[1-Hydroxy-2-butoxy]methyl]-hypoxanthine](/api/spectrum/AY41aA8rbRZ/structure.png?h=300&w=458 "2S-9-[[1-Hydroxy-2-butoxy]methyl]-hypoxanthine")
| SpectraBase Compound ID | 4BwiwG5E4v8 |
|---|---|
| InChI | InChI=1S/C10H14N4O3/c1-2-7(3-15)17-6-14-5-13-8-9(14)11-4-12-10(8)16/h4-5,7,15H,2-3,6H2,1H3,(H,11,12,16)/t7-/m0/s1 |
| InChIKey | PIAIQOFCDIINSS-ZETCQYMHSA-N |
| Mol Weight | 238.25 g/mol |
| Molecular Formula | C10H14N4O3 |
| Exact Mass | 238.10659 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AY41aA8rbRZ |
|---|---|
| Name | 2S-9-[[1-Hydroxy-2-butoxy]methyl]-hypoxanthine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.106590324 u |
| Formula | C10H14N4O3 |
| InChI | InChI=1S/C10H14N4O3/c1-2-7(3-15)17-6-14-5-13-8-9(14)11-4-12-10(8)16/h4-5,7,15H,2-3,6H2,1H3,(H,11,12,16)/t7-/m0/s1 |
| InChIKey | PIAIQOFCDIINSS-ZETCQYMHSA-N |
| Molecular Weight | 238.247 g/mol |
| SMILES | C1(NC=NC2=C1N=CN2CO[C@](CO)(CC)[H])=O |