| SpectraBase Compound ID | C79i6AZTkne |
|---|---|
| InChI | InChI=1S/C12H14O2S/c1-3-4-5-10-15(13,14)12-8-6-11(2)7-9-12/h6-9H,3,10H2,1-2H3 |
| InChIKey | SQGQVWSLXCMKTB-UHFFFAOYSA-N |
| Mol Weight | 222.3 g/mol |
| Molecular Formula | C12H14O2S |
| Exact Mass | 222.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LXQcbUp0gG1 |
|---|---|
| Name | 1-Tosyl-2-pentyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.071450863 u |
| Formula | C12H14O2S |
| InChI | InChI=1S/C12H14O2S/c1-3-4-5-10-15(13,14)12-8-6-11(2)7-9-12/h6-9H,3,10H2,1-2H3 |
| InChIKey | SQGQVWSLXCMKTB-UHFFFAOYSA-N |
| Molecular Weight | 222.302 g/mol |
| SMILES | C(C#CCC)S(=O)(=O)C=1C=CC(C)=CC1 |