| SpectraBase Compound ID | bIfEUvrRx |
|---|---|
| InChI | InChI=1S/C28H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h12-13,21,24H,5-11,14-20,22-23,25H2,1-4H3/b13-12-,27-24+ |
| InChIKey | QCKYQBHVRCICQS-VBHPUSIBSA-N |
| Mol Weight | 418.7 g/mol |
| Molecular Formula | C28H50O2 |
| Exact Mass | 418.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6GuoSRj0Wlh |
|---|---|
| Name | Geranyl oleate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.381080848 u |
| Formula | C28H50O2 |
| InChI | InChI=1S/C28H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h12-13,21,24H,5-11,14-20,22-23,25H2,1-4H3/b13-12-,27-24+ |
| InChIKey | QCKYQBHVRCICQS-VBHPUSIBSA-N |
| Molecular Weight | 418.706 g/mol |
| SMILES | C(CCCCCCC\C=C/CCCCCCCC)(=O)OC\C=C\(CCC=C(C)C)C |