| SpectraBase Compound ID | Gz3yPgpRxMG |
|---|---|
| InChI | InChI=1S/C26H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-28-26(27)24-22-20-8-6-4-2/h20,22H,3-19,21,23-25H2,1-2H3/b22-20+ |
| InChIKey | SLEWGMIERWPGBS-LSDHQDQOSA-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 | Kg3GGtETw1E |
|---|---|
| Name | 3-Octenoic acid, octadecyl 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/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-28-26(27)24-22-20-8-6-4-2/h20,22H,3-19,21,23-25H2,1-2H3/b22-20+ |
| InChIKey | SLEWGMIERWPGBS-LSDHQDQOSA-N |
| Molecular Weight | 394.684 g/mol |
| SMILES | C(\C=C\CCCC)C(OCCCCCCCCCCCCCCCCCC)=O |