| SpectraBase Compound ID | 7FcDm2fTKhu |
|---|---|
| InChI | InChI=1S/C26H50O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26(27)28-25-23-21-10-8-6-4-2/h14-15H,3-13,16-25H2,1-2H3/b15-14- |
| InChIKey | QTDSLDJPJJBBLE-PFONDFGASA-N |
| Mol Weight | 394.7 g/mol |
| Molecular Formula | C26H50O2 |
| Exact Mass | 394.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DchvXKc0Ff8 |
|---|---|
| Name | 9-Octadecenoic acid (Z)-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.381080848 u |
| Formula | C26H50O2 |
| InChI | InChI=1S/C26H50O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26(27)28-25-23-21-10-8-6-4-2/h14-15H,3-13,16-25H2,1-2H3/b15-14- |
| InChIKey | QTDSLDJPJJBBLE-PFONDFGASA-N |
| Molecular Weight | 394.684 g/mol |
| SMILES | C(CCCCCCC\C=C/CCCCCCCC)(=O)OCCCCCCCC |