| SpectraBase Compound ID | 9cAEso4LVmT |
|---|---|
| InChI | InChI=1S/C12H16N4O6S/c1-23-12-14-9-5(10(21)15-12)13-3-16(9)11-8(20)7(19)6(18)4(2-17)22-11/h3-4,6-8,11,17-20H,2H2,1H3,(H,14,15,21)/t4?,6-,7-,8?,11+/m0/s1 |
| InChIKey | YUYHWVWEDABSBD-AWUKMULVSA-N |
| Mol Weight | 344.34 g/mol |
| Molecular Formula | C12H16N4O6S |
| Exact Mass | 344.079055 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BbWOuo7C7Op |
|---|---|
| Name | 2-Methylthio-9.beta.,D-glycopyranosylpurin-6(1H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.079055419 u |
| Formula | C12H16N4O6S |
| InChI | InChI=1S/C12H16N4O6S/c1-23-12-14-9-5(10(21)15-12)13-3-16(9)11-8(20)7(19)6(18)4(2-17)22-11/h3-4,6-8,11,17-20H,2H2,1H3,(H,14,15,21)/t4?,6-,7-,8?,11+/m0/s1 |
| InChIKey | YUYHWVWEDABSBD-AWUKMULVSA-N |
| Molecular Weight | 344.342 g/mol |
| SMILES | C=12N([C@]3(C([C@@](O)([C@](C(O3)CO)(O)[H])[H])O)[H])C=NC1C(=O)NC(=N2)SC |