| SpectraBase Compound ID | AzhKngF0Z8a |
|---|---|
| InChI | InChI=1S/C19H36O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(2,20)21/h7-8,10-11H,3-6,9,12-19H2,1-2H3/b8-7-,11-10- |
| InChIKey | JJFLSSAGKSQEHW-NQLNTKRDSA-N |
| Mol Weight | 344.6 g/mol |
| Molecular Formula | C19H36O3S |
| Exact Mass | 344.238516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AfvN6iyKbSa |
|---|---|
| Name | cis,cis-9,12-Octadecadien-1-ol, methanesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.238516190 u |
| Formula | C19H36O3S |
| InChI | InChI=1S/C19H36O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(2,20)21/h7-8,10-11H,3-6,9,12-19H2,1-2H3/b8-7-,11-10- |
| InChIKey | JJFLSSAGKSQEHW-NQLNTKRDSA-N |
| Molecular Weight | 344.554 g/mol |
| SMILES | C(\C=C/CCCCCCCCOS(C)(=O)=O)\C=C/CCCCC |