| SpectraBase Compound ID | IWlALbYAxFt |
|---|---|
| InChI | InChI=1S/C21H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b8-7-,11-10-,14-13-,17-16- |
| InChIKey | FIGHQJSOGHIGAD-ZKWNWVNESA-N |
| Mol Weight | 314.47 g/mol |
| Molecular Formula | C21H30O2 |
| Exact Mass | 314.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9BSDEdRKRgo |
|---|---|
| Name | cis-Eicosa-(5Z,8Z,11Z,14Z)-tetraen-17-ynoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.224580204 u |
| Formula | C21H30O2 |
| InChI | InChI=1S/C21H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b8-7-,11-10-,14-13-,17-16- |
| InChIKey | FIGHQJSOGHIGAD-ZKWNWVNESA-N |
| Molecular Weight | 314.469 g/mol |
| SMILES | C(#CCC)C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC |