| SpectraBase Compound ID | CLAT9mQO8QF |
|---|---|
| InChI | InChI=1S/C13H18O5S/c1-19(14,15)17-10-8-12-7-9-16-13(18-12)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3 |
| InChIKey | REPJEYBOCDWJME-UHFFFAOYSA-N |
| Mol Weight | 286.34 g/mol |
| Molecular Formula | C13H18O5S |
| Exact Mass | 286.087495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 97xCKR9dABV |
|---|---|
| Name | Methanesulfonate, 2-(2-phenyl-1,3-dioxan-4-yl)ethyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.087494849 u |
| Formula | C13H18O5S |
| InChI | InChI=1S/C13H18O5S/c1-19(14,15)17-10-8-12-7-9-16-13(18-12)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3 |
| InChIKey | REPJEYBOCDWJME-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1)C1OCCC(CCOS(=O)(C)=O)O1 |