| SpectraBase Compound ID | 1dLZN9LpQ46 |
|---|---|
| InChI | InChI=1S/C12H16O4S/c1-10-4-6-12(7-5-10)17(13,14)16-9-11-3-2-8-15-11/h4-7,11H,2-3,8-9H2,1H3 |
| InChIKey | FDMKROMOVVBUIJ-UHFFFAOYSA-N |
| Mol Weight | 256.32 g/mol |
| Molecular Formula | C12H16O4S |
| Exact Mass | 256.07693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IR9dJYLEdJ0 |
|---|---|
| Name | 2-Furanmethanol, tetrahydro-, 4-methylbenzenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.076930165 u |
| Formula | C12H16O4S |
| InChI | InChI=1S/C12H16O4S/c1-10-4-6-12(7-5-10)17(13,14)16-9-11-3-2-8-15-11/h4-7,11H,2-3,8-9H2,1H3 |
| InChIKey | FDMKROMOVVBUIJ-UHFFFAOYSA-N |
| SMILES | C1CC(OC1)COS(=O)(=O)C1=CC=C(C=C1)C |