| SpectraBase Compound ID | 4oob1MfU3hq |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-5-8-9-11-15(7-3)21-17(19)13-10-12-16(18)20-14(4)6-2/h2,14-15H,5,7-13H2,1,3-4H3 |
| InChIKey | JCRLECCFOTZASL-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 | AECqx9mMqfa |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 3-octyl 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/c1-5-8-9-11-15(7-3)21-17(19)13-10-12-16(18)20-14(4)6-2/h2,14-15H,5,7-13H2,1,3-4H3 |
| InChIKey | JCRLECCFOTZASL-UHFFFAOYSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC(CCCCC)CC)=O |