| SpectraBase Compound ID | ErIJ8ihDcIc |
|---|---|
| InChI | InChI=1S/C17H26O4/c1-4-13(3)20-16(18)11-8-12-17(19)21-15-10-7-6-9-14(15)5-2/h1,13-15H,5-12H2,2-3H3 |
| InChIKey | INOSLNABDALRAS-UHFFFAOYSA-N |
| Mol Weight | 294.39 g/mol |
| Molecular Formula | C17H26O4 |
| Exact Mass | 294.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jj7jhx3qLxr |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 2-ethylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.183109313 u |
| Formula | C17H26O4 |
| InChI | InChI=1S/C17H26O4/c1-4-13(3)20-16(18)11-8-12-17(19)21-15-10-7-6-9-14(15)5-2/h1,13-15H,5-12H2,2-3H3 |
| InChIKey | INOSLNABDALRAS-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC1C(CC)CCCC1)=O |