| SpectraBase Compound ID | A9h9ZiCMqGw |
|---|---|
| InChI | InChI=1S/C12H16O3S/c1-4-10(2)9-15-16(13,14)12-7-5-11(3)6-8-12/h4-8,10H,1,9H2,2-3H3 |
| InChIKey | QEDLZPCODIVQPU-UHFFFAOYSA-N |
| Mol Weight | 240.32 g/mol |
| Molecular Formula | C12H16O3S |
| Exact Mass | 240.082016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Berrfp7Joc0 |
|---|---|
| Name | 2-Methylbut-3-enyl 4-methylbenzenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.082015546 u |
| Formula | C12H16O3S |
| InChI | InChI=1S/C12H16O3S/c1-4-10(2)9-15-16(13,14)12-7-5-11(3)6-8-12/h4-8,10H,1,9H2,2-3H3 |
| InChIKey | QEDLZPCODIVQPU-UHFFFAOYSA-N |
| Molecular Weight | 240.317 g/mol |
| SMILES | C(C(C=C)C)OS(=O)(=O)C=1C=CC(C)=CC1 |