| SpectraBase Compound ID | CDjbiaCBjPA |
|---|---|
| InChI | InChI=1S/C16H20O5/c1-2-20-16(18)15-9-13(17)8-14(21-15)11-19-10-12-6-4-3-5-7-12/h3-7,14-15H,2,8-11H2,1H3/t14-,15+/m0/s1 |
| InChIKey | HILCRRLARBJSJH-LSDHHAIUSA-N |
| Mol Weight | 292.33 g/mol |
| Molecular Formula | C16H20O5 |
| Exact Mass | 292.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8uvtaQK7mpI |
|---|---|
| Name | (2R,6S)-6-(Benzyloxymethyl)-2-ethoxycarbonyl-tetrahydro-1,4-pyrone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.131073739 u |
| Formula | C16H20O5 |
| InChI | InChI=1S/C16H20O5/c1-2-20-16(18)15-9-13(17)8-14(21-15)11-19-10-12-6-4-3-5-7-12/h3-7,14-15H,2,8-11H2,1H3/t14-,15+/m0/s1 |
| InChIKey | HILCRRLARBJSJH-LSDHHAIUSA-N |
| SMILES | [C@@]1(O[C@](COCC2=CC=CC=C2)(CC(C1)=O)[H])(C(=O)OCC)[H] |