| SpectraBase Compound ID | 9meTAKUsyIK |
|---|---|
| InChI | InChI=1S/C18H28O2/c1-6-7-8-9-10-11-18(19)20-17(14-16(4)5)13-12-15(2)3/h9-10,16-17H,2,6-8,11,14H2,1,3-5H3/b10-9+ |
| InChIKey | UELHPAAKTOJDNY-MDZDMXLPSA-N |
| Mol Weight | 276.42 g/mol |
| Molecular Formula | C18H28O2 |
| Exact Mass | 276.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BDAQSp3IdA9 |
|---|---|
| Name | oct-3-Enoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.208930140 u |
| Formula | C18H28O2 |
| InChI | InChI=1S/C18H28O2/c1-6-7-8-9-10-11-18(19)20-17(14-16(4)5)13-12-15(2)3/h9-10,16-17H,2,6-8,11,14H2,1,3-5H3/b10-9+ |
| InChIKey | UELHPAAKTOJDNY-MDZDMXLPSA-N |
| Molecular Weight | 276.420 g/mol |
| SMILES | C(\C=C\CCCC)C(OC(CC(C)C)C#CC(C)=C)=O |