| SpectraBase Compound ID | EYWk0cmvGzM |
|---|---|
| InChI | InChI=1S/C17H28O2/c1-5-7-9-10-11-13-17(18)19-16(12-8-6-2)14-15(3)4/h10-11,15-16H,5-7,9,13-14H2,1-4H3/b11-10+ |
| InChIKey | OZHZRZKKCYELPL-ZHACJKMWSA-N |
| Mol Weight | 264.41 g/mol |
| Molecular Formula | C17H28O2 |
| Exact Mass | 264.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Aqv8R6KK01S |
|---|---|
| Name | oct-3-Enoic acid, 2-methyloct-5-yn-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.208930140 u |
| Formula | C17H28O2 |
| InChI | InChI=1S/C17H28O2/c1-5-7-9-10-11-13-17(18)19-16(12-8-6-2)14-15(3)4/h10-11,15-16H,5-7,9,13-14H2,1-4H3/b11-10+ |
| InChIKey | OZHZRZKKCYELPL-ZHACJKMWSA-N |
| Molecular Weight | 264.409 g/mol |
| SMILES | C(\C=C\CCCC)C(OC(CC(C)C)C#CCC)=O |