| SpectraBase Compound ID | 7xg09YCnaJM |
|---|---|
| InChI | InChI=1S/C22H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h11-12H,3-7,10,13,16,19-21H2,1-2H3/b12-11+ |
| InChIKey | FCMKBRSYTIHCNL-VAWYXSNFSA-N |
| Mol Weight | 326.48 g/mol |
| Molecular Formula | C22H30O2 |
| Exact Mass | 326.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IDJsI8cUl1 |
|---|---|
| Name | (E)-Eicos-11-en-5,8,14-triynoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.224580204 u |
| Formula | C22H30O2 |
| InChI | InChI=1S/C22H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h11-12H,3-7,10,13,16,19-21H2,1-2H3/b12-11+ |
| InChIKey | FCMKBRSYTIHCNL-VAWYXSNFSA-N |
| Molecular Weight | 326.480 g/mol |
| SMILES | C(#CCCCC(=O)OCC)CC#CC\C=C\CC#CCCCCC |