| SpectraBase Compound ID | 4sqc8o59owY |
|---|---|
| InChI | InChI=1S/C19H32O4/c1-4-7-8-9-10-11-16-22-18(20)14-12-15-19(21)23-17(6-3)13-5-2/h17H,4,6-12,14-16H2,1-3H3 |
| InChIKey | QNJDFODNHFEGBB-UHFFFAOYSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C19H32O4 |
| Exact Mass | 324.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | D2bquT2ul3y |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.230059506 u |
| Formula | C19H32O4 |
| InChI | InChI=1S/C19H32O4/c1-4-7-8-9-10-11-16-22-18(20)14-12-15-19(21)23-17(6-3)13-5-2/h17H,4,6-12,14-16H2,1-3H3 |
| InChIKey | QNJDFODNHFEGBB-UHFFFAOYSA-N |
| Molecular Weight | 324.461 g/mol |
| SMILES | CCC(OC(CCCC(OCCCCCCCC)=O)=O)C#CC |