| SpectraBase Compound ID | 2QJ5q2Z1831 |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-4-7-8-9-14-20-16(18)12-10-13-17(19)21-15(6-3)11-5-2/h15H,4,6-10,12-14H2,1-3H3 |
| InChIKey | SKVUSZAZXGCAQB-UHFFFAOYSA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C17H28O4 |
| Exact Mass | 296.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4kC4egqw8kP |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.198759378 u |
| Formula | C17H28O4 |
| InChI | InChI=1S/C17H28O4/c1-4-7-8-9-14-20-16(18)12-10-13-17(19)21-15(6-3)11-5-2/h15H,4,6-10,12-14H2,1-3H3 |
| InChIKey | SKVUSZAZXGCAQB-UHFFFAOYSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | CCC(OC(CCCC(OCCCCCC)=O)=O)C#CC |