| SpectraBase Compound ID | 5vrVDcXCwVq |
|---|---|
| InChI | InChI=1S/C17H24O2S/c1-3-4-5-6-7-8-9-10-15-20(18,19)17-13-11-16(2)12-14-17/h11-14H,3-8,15H2,1-2H3 |
| InChIKey | XCJMPVMPVQNCIA-UHFFFAOYSA-N |
| Mol Weight | 292.44 g/mol |
| Molecular Formula | C17H24O2S |
| Exact Mass | 292.149701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ASGsK0Zz5bq |
|---|---|
| Name | 1-(2-Decynylsulfonyl)-4-methylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.149701185 u |
| Formula | C17H24O2S |
| InChI | InChI=1S/C17H24O2S/c1-3-4-5-6-7-8-9-10-15-20(18,19)17-13-11-16(2)12-14-17/h11-14H,3-8,15H2,1-2H3 |
| InChIKey | XCJMPVMPVQNCIA-UHFFFAOYSA-N |
| SMILES | C=1(S(=O)(=O)CC#CCCCCCCC)C=CC(=CC1)C |