| SpectraBase Compound ID | FlMYvEgY24d |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-2-6-12-11(14)9-15-13(16-12)10-7-4-3-5-8-10/h2-5,7-8,11-14H,1,6,9H2/t11-,12-,13+/m1/s1 |
| InChIKey | OTJVLVPSEDYZHK-UPJWGTAASA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3CM0PrTxATp |
|---|---|
| Name | (2S,4R,5R)-2-Phenyl-4-prop-2-enyl-1,3-dioxan-5-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-2-6-12-11(14)9-15-13(16-12)10-7-4-3-5-8-10/h2-5,7-8,11-14H,1,6,9H2/t11-,12-,13+/m1/s1 |
| InChIKey | OTJVLVPSEDYZHK-UPJWGTAASA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | [C@@]1(O[C@@]([C@@](CO1)(O)[H])(CC=C)[H])(C1=CC=CC=C1)[H] |