| SpectraBase Compound ID | 9yW8GTRwww4 |
|---|---|
| InChI | InChI=1S/C12H14O3S/c1-4-10(2)9-15-16(13,14)12-7-5-11(3)6-8-12/h1,5-8,10H,9H2,2-3H3 |
| InChIKey | PBWQHGVSHSPUIF-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 | 8PCQJEPP36N |
|---|---|
| Name | 2-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/c1-4-10(2)9-15-16(13,14)12-7-5-11(3)6-8-12/h1,5-8,10H,9H2,2-3H3 |
| InChIKey | PBWQHGVSHSPUIF-UHFFFAOYSA-N |
| Molecular Weight | 238.301 g/mol |
| SMILES | C=1(S(OCC(C#C)C)(=O)=O)C=CC(=CC1)C |