| SpectraBase Compound ID | 6W6nWwxml7Z |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-13(2)15-9-11(14-3)12(16-13)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3/t11-,12+/m1/s1 |
| InChIKey | JWASIGNBKGYVJQ-NEPJUHHUSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KSyaTQLudMv |
|---|---|
| Name | (4S,5R)-5-Methoxy-2,2-dimethyl-4-phenyl-1,3-dioxane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-13(2)15-9-11(14-3)12(16-13)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3/t11-,12+/m1/s1 |
| InChIKey | JWASIGNBKGYVJQ-NEPJUHHUSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | [C@@]1(OC(OC[C@]1(OC)[H])(C)C)(C1=CC=CC=C1)[H] |