| SpectraBase Compound ID | 2cMYkucPkjm |
|---|---|
| InChI | InChI=1S/C21H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-6,9,12,15,18-20H2,1-2H3 |
| InChIKey | CTHYLKQCJHFQOG-UHFFFAOYSA-N |
| Mol Weight | 310.44 g/mol |
| Molecular Formula | C21H26O2 |
| Exact Mass | 310.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Eg3bmdsNNX |
|---|---|
| Name | 5,8,11,14-Eicosatetraynoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.193280075 u |
| Formula | C21H26O2 |
| InChI | InChI=1S/C21H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-6,9,12,15,18-20H2,1-2H3 |
| InChIKey | CTHYLKQCJHFQOG-UHFFFAOYSA-N |
| SMILES | C(OC)(CCCC#CCC#CCC#CCC#CCCCCC)=O |