| SpectraBase Compound ID | 7X2WAt0qB7j |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-5-9-14(10-6-2)20-16(18)12-8-11-15(17)19-13(4)7-3/h3,13-14H,5-6,8-12H2,1-2,4H3 |
| InChIKey | SUHWXPWBEOVEEM-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 | qH6hK1QPC2 |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl hept-4-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/c1-5-9-14(10-6-2)20-16(18)12-8-11-15(17)19-13(4)7-3/h3,13-14H,5-6,8-12H2,1-2,4H3 |
| InChIKey | SUHWXPWBEOVEEM-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(CCC)CCC)=O)C(OC(C)C#C)=O |