![[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl acetate](/api/spectrum/EQUb95L11Qt/structure.png?h=300&w=458 "[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl acetate")
| SpectraBase Compound ID | HGNE2zmnQaT |
|---|---|
| InChI | InChI=1S/C10H13NO4/c1-6-10(14)9(4-12)8(3-11-6)5-15-7(2)13/h3,12,14H,4-5H2,1-2H3 |
| InChIKey | VVNANPHBTSDUIH-UHFFFAOYSA-N |
| Mol Weight | 211.22 g/mol |
| Molecular Formula | C10H13NO4 |
| Exact Mass | 211.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EQUb95L11Qt |
|---|---|
| Name | [5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.084457899 u |
| Formula | C10H13NO4 |
| InChI | InChI=1S/C10H13NO4/c1-6-10(14)9(4-12)8(3-11-6)5-15-7(2)13/h3,12,14H,4-5H2,1-2H3 |
| InChIKey | VVNANPHBTSDUIH-UHFFFAOYSA-N |
| Molecular Weight | 211.217 g/mol |
| SMILES | C(C)(=O)OCC=1C=NC(=C(C1CO)O)C |