| SpectraBase Compound ID | LuAqMfMVbmc |
|---|---|
| InChI | InChI=1S/C18H26O3S/c1-3-4-5-6-7-8-9-10-11-16-21-22(19,20)18-14-12-17(2)13-15-18/h5-8,12-15H,3-4,9-11,16H2,1-2H3/b6-5-,8-7+ |
| InChIKey | OKSXXUGQKKOLRI-IGTJQSIKSA-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 | FP0eNsCJU7p |
|---|---|
| Name | 1-Tosyl-(5E,7Z)-undeca-5,7-diene |
| 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/c1-3-4-5-6-7-8-9-10-11-16-21-22(19,20)18-14-12-17(2)13-15-18/h5-8,12-15H,3-4,9-11,16H2,1-2H3/b6-5-,8-7+ |
| InChIKey | OKSXXUGQKKOLRI-IGTJQSIKSA-N |
| Molecular Weight | 322.463 g/mol |
| SMILES | C1(S(=O)(=O)OCCCC\C=C\C=C/CCC)=CC=C(C)C=C1 |