| SpectraBase Compound ID | DSZobFWUFMF |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-4-7-8-9-11-14(5-2)20-16(18)13-10-12-15(17)19-6-3/h14H,4-7,10-13H2,1-3H3 |
| InChIKey | BMDUHDYSZROBHT-UHFFFAOYSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C16H26O4 |
| Exact Mass | 282.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KALAEEvtnIX |
|---|---|
| Name | Glutaric acid, ethyl non-5-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.183109313 u |
| Formula | C16H26O4 |
| InChI | InChI=1S/C16H26O4/c1-4-7-8-9-11-14(5-2)20-16(18)13-10-12-15(17)19-6-3/h14H,4-7,10-13H2,1-3H3 |
| InChIKey | BMDUHDYSZROBHT-UHFFFAOYSA-N |
| SMILES | CCCC#CCC(OC(CCCC(OCC)=O)=O)CC |