| SpectraBase Compound ID | CDtm4xa3uVh |
|---|---|
| InChI | InChI=1S/C18H26O3S/c1-3-4-10-18(16-8-6-5-7-9-16)21-22(19,20)17-13-11-15(2)12-14-17/h3,11-14,16,18H,1,4-10H2,2H3 |
| InChIKey | JNUCBWLOQYNWOE-UHFFFAOYSA-N |
| Mol Weight | 322.46 g/mol |
| Molecular Formula | C18H26O3S |
| Exact Mass | 322.160266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Ta3f9lz5R8 |
|---|---|
| Name | 1-Cyclohexylpent-4-en-1-yl p-toluenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.160265868 u |
| Formula | C18H26O3S |
| InChI | InChI=1S/C18H26O3S/c1-3-4-10-18(16-8-6-5-7-9-16)21-22(19,20)17-13-11-15(2)12-14-17/h3,11-14,16,18H,1,4-10H2,2H3 |
| InChIKey | JNUCBWLOQYNWOE-UHFFFAOYSA-N |
| Molecular Weight | 322.463 g/mol |
| SMILES | C=1(C=CC(=CC1)C)S(=O)(=O)OC(CCC=C)C1CCCCC1 |