| SpectraBase Compound ID | Lc5sMWVkc0q |
|---|---|
| InChI | InChI=1S/C19H28O2/c1-4-6-8-9-10-11-13-15-19(20)21-17-16-18(3)14-12-7-5-2/h11,13,18H,8-10,12,14-17H2,1-3H3/b13-11+ |
| InChIKey | SOXJZFHZWQEESB-ACCUITESSA-N |
| Mol Weight | 288.43 g/mol |
| Molecular Formula | C19H28O2 |
| Exact Mass | 288.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 43rZLtRzR98 |
|---|---|
| Name | (3E)-3'-Methyloct-6'-ynyl dec-3-en-8-ynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.208930140 u |
| Formula | C19H28O2 |
| InChI | InChI=1S/C19H28O2/c1-4-6-8-9-10-11-13-15-19(20)21-17-16-18(3)14-12-7-5-2/h11,13,18H,8-10,12,14-17H2,1-3H3/b13-11+ |
| InChIKey | SOXJZFHZWQEESB-ACCUITESSA-N |
| SMILES | C(#CCCC\C=C\CC(=O)OCCC(CCC#CC)C)C |