| SpectraBase Compound ID | 7bqNL5FaiY6 |
|---|---|
| InChI | InChI=1S/C11H12O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,9H2,1-2H3 |
| InChIKey | HGZKJNHJABSJTC-UHFFFAOYSA-N |
| Mol Weight | 224.27 g/mol |
| Molecular Formula | C11H12O3S |
| Exact Mass | 224.050715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KscTm0bPcon |
|---|---|
| Name | 2-Butynyl p-toluenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.050715417 u |
| Formula | C11H12O3S |
| InChI | InChI=1S/C11H12O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,9H2,1-2H3 |
| InChIKey | HGZKJNHJABSJTC-UHFFFAOYSA-N |
| Molecular Weight | 224.274 g/mol |
| SMILES | C=1C(=CC=C(C1)S(=O)(=O)OCC#CC)C |