| SpectraBase Compound ID | J2vWUi7dNz5 |
|---|---|
| InChI | InChI=1S/C12H14O3S/c1-3-4-5-10-15-16(13,14)12-8-6-11(2)7-9-12/h6-9H,3,10H2,1-2H3 |
| InChIKey | VLHQNZIPSBLCKM-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 | K5D0bWIjvm4 |
|---|---|
| Name | Pent-2-ynyl (p-toluene)sulfonate |
| 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/c1-3-4-5-10-15-16(13,14)12-8-6-11(2)7-9-12/h6-9H,3,10H2,1-2H3 |
| InChIKey | VLHQNZIPSBLCKM-UHFFFAOYSA-N |
| Molecular Weight | 238.301 g/mol |
| SMILES | C=1(S(=O)(=O)OCC#CCC)C=CC(=CC1)C |