| SpectraBase Compound ID | LF8S8FPyWVR |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-4-6-7-8-9-13-19-15(17)11-10-12-16(18)20-14(3)5-2/h2,14H,4,6-13H2,1,3H3 |
| InChIKey | BIKJQEDHGVUSMT-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 | r1W69ABWb3 |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl heptyl 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/c1-4-6-7-8-9-13-19-15(17)11-10-12-16(18)20-14(3)5-2/h2,14H,4,6-13H2,1,3H3 |
| InChIKey | BIKJQEDHGVUSMT-UHFFFAOYSA-N |
| SMILES | C#CC(OC(CCCC(OCCCCCCC)=O)=O)C |