| SpectraBase Compound ID | 2TboLJK9I8I |
|---|---|
| InChI | InChI=1S/C22H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-20-24-22(2,3)25-21/h9-10,21H,4-8,11-20H2,1-3H3/b10-9+ |
| InChIKey | GUBGTFOWTBUJOY-MDZDMXLPSA-N |
| Mol Weight | 354.6 g/mol |
| Molecular Formula | C22H42O3 |
| Exact Mass | 354.313395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LB1nzMlnl4s |
|---|---|
| Name | 9-Hexadecenyl-1-o-glycerol, isopropylidene derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.313395209 u |
| Formula | C22H42O3 |
| InChI | InChI=1S/C22H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-20-24-22(2,3)25-21/h9-10,21H,4-8,11-20H2,1-3H3/b10-9+ |
| InChIKey | GUBGTFOWTBUJOY-MDZDMXLPSA-N |
| Molecular Weight | 354.575 g/mol |
| SMILES | CCCCCC\C=C\CCCCCCCCOCC1COC(O1)(C)C |