| SpectraBase Compound ID | F29ctZ14kvg |
|---|---|
| InChI | InChI=1S/C25H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h16-17,20-21H,3-15,18-19,22-24H2,1-2H3/b17-16-,21-20- |
| InChIKey | WSJNILQYKOSEOY-BQGUDHRMSA-N |
| Mol Weight | 378.6 g/mol |
| Molecular Formula | C25H46O2 |
| Exact Mass | 378.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5XVI6D4fTdB |
|---|---|
| Name | Methyl 5,9-tetracosadienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.349780719 u |
| Formula | C25H46O2 |
| InChI | InChI=1S/C25H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h16-17,20-21H,3-15,18-19,22-24H2,1-2H3/b17-16-,21-20- |
| InChIKey | WSJNILQYKOSEOY-BQGUDHRMSA-N |
| Molecular Weight | 378.641 g/mol |
| SMILES | C(\C=C/CC\C=C/CCCCCCCCCCCCCC)CCC(=O)OC |