![[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methyl acetate](/api/spectrum/8erYROAQ4a7/structure.png?h=300&w=458 "[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methyl acetate")
| SpectraBase Compound ID | G06n2Sflsj9 |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-10(14)16-9-12-7-8-15-13(17-12)11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3/t12-,13-/m0/s1 |
| InChIKey | LVMONLQKKAIJMO-STQMWFEESA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8erYROAQ4a7 |
|---|---|
| Name | [(2S,4S)-2-Phenyl-1,3-dioxan-4-yl]methyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-10(14)16-9-12-7-8-15-13(17-12)11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3/t12-,13-/m0/s1 |
| InChIKey | LVMONLQKKAIJMO-STQMWFEESA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | [C@@]1(O[C@](COC(=O)C)(CCO1)[H])(C1=CC=CC=C1)[H] |