| SpectraBase Compound ID | KDXrQGlb8Av |
|---|---|
| InChI | InChI=1S/C23H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11,18-19H,3-9,12-17,20-22H2,1-2H3/b11-10-,19-18- |
| InChIKey | QQOFQOHOBUWCQT-PLWCYHAZSA-N |
| Mol Weight | 350.6 g/mol |
| Molecular Formula | C23H42O2 |
| Exact Mass | 350.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KiRNqv6QYuE |
|---|---|
| Name | Methyl 5,13-docosadienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.318480590 u |
| Formula | C23H42O2 |
| InChI | InChI=1S/C23H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11,18-19H,3-9,12-17,20-22H2,1-2H3/b11-10-,19-18- |
| InChIKey | QQOFQOHOBUWCQT-PLWCYHAZSA-N |
| Molecular Weight | 350.587 g/mol |
| SMILES | C(CC\C=C/CCCCCC\C=C/CCCCCCCC)C(OC)=O |