![2R,3S-9-[1,3,4-Trihydroxy-2-butoxymethyl]guanine](/api/spectrum/GHuhDsnObDL/structure.png?h=300&w=458 "2R,3S-9-[1,3,4-Trihydroxy-2-butoxymethyl]guanine")
| SpectraBase Compound ID | EIacYeDket7 |
|---|---|
| InChI | InChI=1S/C10H15N5O5/c11-10-13-8-7(9(19)14-10)12-3-15(8)4-20-6(2-17)5(18)1-16/h3,5-6,16-18H,1-2,4H2,(H3,11,13,14,19) |
| InChIKey | RMWMWDQGHMCIQQ-UHFFFAOYSA-N |
| Mol Weight | 285.26 g/mol |
| Molecular Formula | C10H15N5O5 |
| Exact Mass | 285.107319 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GHuhDsnObDL |
|---|---|
| Name | 2R,3S-9-[1,3,4-Trihydroxy-2-butoxymethyl]guanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.107318598 u |
| Formula | C10H15N5O5 |
| InChI | InChI=1S/C10H15N5O5/c11-10-13-8-7(9(19)14-10)12-3-15(8)4-20-6(2-17)5(18)1-16/h3,5-6,16-18H,1-2,4H2,(H3,11,13,14,19) |
| InChIKey | RMWMWDQGHMCIQQ-UHFFFAOYSA-N |
| Molecular Weight | 285.260 g/mol |
| SMILES | C(O)C(C(OCN1C2=C(N=C1)C(NC(=N2)N)=O)CO)O |