| SpectraBase Compound ID | 7CJWl5yRs1p |
|---|---|
| InChI | InChI=1S/C17H26O4/c1-5-14(4)20-16(18)7-6-8-17(19)21-15-10-9-12(2)13(3)11-15/h1,12-15H,6-11H2,2-4H3 |
| InChIKey | OMPFQFIOJOKGJR-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 | 9FtA0cJSzq |
|---|---|
| Name | Glutaric acid, 3,4-dimethylcyclohexyl but-3-yn-2-yl 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/c1-5-14(4)20-16(18)7-6-8-17(19)21-15-10-9-12(2)13(3)11-15/h1,12-15H,6-11H2,2-4H3 |
| InChIKey | OMPFQFIOJOKGJR-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC1CC(C(C)CC1)C)=O |