![2-Bicyclo[2.1.1]hexanol, 4-methylphenylsulfonate](/api/spectrum/QN4FGxQx1o/structure.png?h=300&w=458 "2-Bicyclo[2.1.1]hexanol, 4-methylphenylsulfonate")
| SpectraBase Compound ID | 6qESyjqaMcL |
|---|---|
| InChI | InChI=1S/C13H16O3S/c1-9-2-4-12(5-3-9)17(14,15)16-13-8-10-6-11(13)7-10/h2-5,10-11,13H,6-8H2,1H3 |
| InChIKey | VUVJENAQAXIUGS-UHFFFAOYSA-N |
| Mol Weight | 252.33 g/mol |
| Molecular Formula | C13H16O3S |
| Exact Mass | 252.082016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | QN4FGxQx1o |
|---|---|
| Name | 2-Bicyclo[2.1.1]hexanol, 4-methylphenylsulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.082015546 u |
| Formula | C13H16O3S |
| InChI | InChI=1S/C13H16O3S/c1-9-2-4-12(5-3-9)17(14,15)16-13-8-10-6-11(13)7-10/h2-5,10-11,13H,6-8H2,1H3 |
| InChIKey | VUVJENAQAXIUGS-UHFFFAOYSA-N |
| Molecular Weight | 252.328 g/mol |
| SMILES | C1C(OS(=O)(=O)C2=CC=C(C=C2)C)C2CC1C2 |