| SpectraBase Compound ID | ATFxRsawYog |
|---|---|
| InChI | InChI=1S/C11H16O3S/c1-11(2,3)9-14-15(12,13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 |
| InChIKey | UAIQNCSAQGGKRL-UHFFFAOYSA-N |
| Mol Weight | 228.31 g/mol |
| Molecular Formula | C11H16O3S |
| Exact Mass | 228.082016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JAOTaVXLUMS |
|---|---|
| Name | Benzenesulfonic acid, 2,2-dimethylpropyl(ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.082015546 u |
| Formula | C11H16O3S |
| InChI | InChI=1S/C11H16O3S/c1-11(2,3)9-14-15(12,13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 |
| InChIKey | UAIQNCSAQGGKRL-UHFFFAOYSA-N |
| Molecular Weight | 228.306 g/mol |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)C |