| SpectraBase Compound ID | KsckqWuD7Cw |
|---|---|
| InChI | InChI=1S/C22H42O3Si/c1-6-18-21(25-26(3,4)5)19-16-14-12-10-8-7-9-11-13-15-17-20-22(23)24-2/h8,10,14,16,21H,6-7,9,11-13,15,17-20H2,1-5H3/b10-8-,16-14- |
| InChIKey | NNHTXAYOYQUKJH-UDJAPEQQSA-N |
| Mol Weight | 382.7 g/mol |
| Molecular Formula | C22H42O3Si |
| Exact Mass | 382.290322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 29Es1EBsQj3 |
|---|---|
| Name | Methyl 15-hydroxy-9,12-octadecadienoate, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.290321744 u |
| Formula | C22H42O3Si |
| InChI | InChI=1S/C22H42O3Si/c1-6-18-21(25-26(3,4)5)19-16-14-12-10-8-7-9-11-13-15-17-20-22(23)24-2/h8,10,14,16,21H,6-7,9,11-13,15,17-20H2,1-5H3/b10-8-,16-14- |
| InChIKey | NNHTXAYOYQUKJH-UDJAPEQQSA-N |
| Molecular Weight | 382.660 g/mol |
| SMILES | C(CCCC\C=C/C\C=C/CC(CCC)O[Si](C)(C)C)CCC(OC)=O |