| SpectraBase Compound ID | FwwUytaGFJ1 |
|---|---|
| InChI | InChI=1S/C14H20O4/c1-14(2)8-17-13(18-9-14)10-5-6-11(15-3)12(7-10)16-4/h5-7,13H,8-9H2,1-4H3 |
| InChIKey | XYRLIOIOCPBDIC-UHFFFAOYSA-N |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C14H20O4 |
| Exact Mass | 252.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 81bfWjCND55 |
|---|---|
| Name | 2-(3,4-Dimethoxyphenyl)-5,5-dimethyl-1,3-dioxane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.136159120 u |
| Formula | C14H20O4 |
| InChI | InChI=1S/C14H20O4/c1-14(2)8-17-13(18-9-14)10-5-6-11(15-3)12(7-10)16-4/h5-7,13H,8-9H2,1-4H3 |
| InChIKey | XYRLIOIOCPBDIC-UHFFFAOYSA-N |
| Molecular Weight | 252.310 g/mol |
| SMILES | C=1(C(=CC(=CC1)C1OCC(CO1)(C)C)OC)OC |