| SpectraBase Compound ID | CONxzoFrsZv |
|---|---|
| InChI | InChI=1S/C8H14O5/c1-3-12-8(11)7(4-5-9)13-6(2)10/h7,9H,3-5H2,1-2H3/t7-/m0/s1 |
| InChIKey | XIYLIPUQEUJGAP-ZETCQYMHSA-N |
| Mol Weight | 190.19 g/mol |
| Molecular Formula | C8H14O5 |
| Exact Mass | 190.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7851tvtOsGm |
|---|---|
| Name | (2S)-2-Acetoxy-4-hydroxy-butyric acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.084123546 u |
| Formula | C8H14O5 |
| InChI | InChI=1S/C8H14O5/c1-3-12-8(11)7(4-5-9)13-6(2)10/h7,9H,3-5H2,1-2H3/t7-/m0/s1 |
| InChIKey | XIYLIPUQEUJGAP-ZETCQYMHSA-N |
| Molecular Weight | 190.195 g/mol |
| SMILES | C([C@@](OC(=O)C)(CCO)[H])(=O)OCC |