| SpectraBase Compound ID | 8k0ApwBAJod |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-7-13(6)19-14(17)9-8-10-15(18)20-16(11(2)3)12(4)5/h1,11-13,16H,8-10H2,2-6H3 |
| InChIKey | YBMUHHBBHBAOLK-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 | 6keZuvoF78G |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 2,4-dimethylpent-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/c1-7-13(6)19-14(17)9-8-10-15(18)20-16(11(2)3)12(4)5/h1,11-13,16H,8-10H2,2-6H3 |
| InChIKey | YBMUHHBBHBAOLK-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC(C(C)C)C(C)C)=O |