| SpectraBase Compound ID | 2Y35xiudaA7 |
|---|---|
| InChI | InChI=1S/C8H8O5/c1-5(9)12-3-6-2-7(10)8(11)4-13-6/h2,4,11H,3H2,1H3 |
| InChIKey | MWPFSCIYGNZCJP-UHFFFAOYSA-N |
| Mol Weight | 184.15 g/mol |
| Molecular Formula | C8H8O5 |
| Exact Mass | 184.037173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A5KdNy57PA0 |
|---|---|
| Name | 5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one, 2-acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.037173353 u |
| Formula | C8H8O5 |
| InChI | InChI=1S/C8H8O5/c1-5(9)12-3-6-2-7(10)8(11)4-13-6/h2,4,11H,3H2,1H3 |
| InChIKey | MWPFSCIYGNZCJP-UHFFFAOYSA-N |
| SMILES | OC=1C(C=C(OC1)COC(C)=O)=O |