| SpectraBase Compound ID | 7HRvkB6PBkI |
|---|---|
| InChI | InChI=1S/C22H42O3/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-22(6,24)16-17-25-21(5)23/h16-20,24H,7-15H2,1-6H3/b17-16+ |
| InChIKey | VPUJJMLLAZVZIC-WUKNDPDISA-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 | BpXmMsgAIzY |
|---|---|
| Name | (E)-3-Hydroxy-3,7,11,15-tetramethyl-1-hexadecenyl acetate |
| 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/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-22(6,24)16-17-25-21(5)23/h16-20,24H,7-15H2,1-6H3/b17-16+ |
| InChIKey | VPUJJMLLAZVZIC-WUKNDPDISA-N |
| Molecular Weight | 354.575 g/mol |
| SMILES | C(O\C=C\C(O)(CCCC(CCCC(CCCC(C)C)C)C)C)(=O)C |