![2S-9-[[1-Hydroxy-2-butoxy]methyl]-adenine](/api/spectrum/HSgiiVuVdcO/structure.png?h=300&w=458 "2S-9-[[1-Hydroxy-2-butoxy]methyl]-adenine")
| SpectraBase Compound ID | IiJ5xwkjeOm |
|---|---|
| InChI | InChI=1S/C10H15N5O2/c1-2-7(3-16)17-6-15-5-14-8-9(11)12-4-13-10(8)15/h4-5,7,16H,2-3,6H2,1H3,(H2,11,12,13)/t7-/m0/s1 |
| InChIKey | QJXCNFGHYLBSTA-ZETCQYMHSA-N |
| Mol Weight | 237.26 g/mol |
| Molecular Formula | C10H15N5O2 |
| Exact Mass | 237.122575 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HSgiiVuVdcO |
|---|---|
| Name | 2S-9-[[1-Hydroxy-2-butoxy]methyl]-adenine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.122574741 u |
| Formula | C10H15N5O2 |
| InChI | InChI=1S/C10H15N5O2/c1-2-7(3-16)17-6-15-5-14-8-9(11)12-4-13-10(8)15/h4-5,7,16H,2-3,6H2,1H3,(H2,11,12,13)/t7-/m0/s1 |
| InChIKey | QJXCNFGHYLBSTA-ZETCQYMHSA-N |
| Molecular Weight | 237.263 g/mol |
| SMILES | C1(=NC=NC2=C1N=CN2CO[C@](CO)(CC)[H])N |