| SpectraBase Compound ID | 5HxSW9lmyhG |
|---|---|
| InChI | InChI=1S/C12H14O3S/c1-4-5-11(3)15-16(13,14)12-8-6-10(2)7-9-12/h1,6-9,11H,5H2,2-3H3 |
| InChIKey | FUXZPGSGEZVNMH-UHFFFAOYSA-N |
| Mol Weight | 238.3 g/mol |
| Molecular Formula | C12H14O3S |
| Exact Mass | 238.066365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ZR5eV9ysNH |
|---|---|
| Name | 1-Methylbut-3-ynyl 4-methylbenzenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.066365482 u |
| Formula | C12H14O3S |
| InChI | InChI=1S/C12H14O3S/c1-4-5-11(3)15-16(13,14)12-8-6-10(2)7-9-12/h1,6-9,11H,5H2,2-3H3 |
| InChIKey | FUXZPGSGEZVNMH-UHFFFAOYSA-N |
| Molecular Weight | 238.301 g/mol |
| SMILES | C(OS(C=1C=CC(=CC1)C)(=O)=O)(CC#C)C |