| SpectraBase Compound ID | 2IUMDKMJpxc |
|---|---|
| InChI | InChI=1S/C14H24O2/c1-4-7-8-9-10-12-14(15)16-13(6-3)11-5-2/h13H,4,6-10,12H2,1-3H3 |
| InChIKey | UIYXGURQBFLUSB-UHFFFAOYSA-N |
| Mol Weight | 224.34 g/mol |
| Molecular Formula | C14H24O2 |
| Exact Mass | 224.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9BQ4Xds35ZR |
|---|---|
| Name | Octanoic acid, hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.177630011 u |
| Formula | C14H24O2 |
| InChI | InChI=1S/C14H24O2/c1-4-7-8-9-10-12-14(15)16-13(6-3)11-5-2/h13H,4,6-10,12H2,1-3H3 |
| InChIKey | UIYXGURQBFLUSB-UHFFFAOYSA-N |
| Molecular Weight | 224.344 g/mol |
| SMILES | CCCCCCCC(=O)OC(CC)C#CC |