| SpectraBase Compound ID | CprC5IsBx0c |
|---|---|
| InChI | InChI=1S/C19H32O4/c1-5-7-9-14-22-18(20)12-10-13-19(21)23-17(11-8-6-2)15-16(3)4/h16-17H,5-7,9-10,12-15H2,1-4H3 |
| InChIKey | ZHVHKJSNIQSZKL-UHFFFAOYSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C19H32O4 |
| Exact Mass | 324.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | lxDdKRmLnF |
|---|---|
| Name | Glutaric acid, 2-methyloct-5-yn-4-yl pentyl 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/c1-5-7-9-14-22-18(20)12-10-13-19(21)23-17(11-8-6-2)15-16(3)4/h16-17H,5-7,9-10,12-15H2,1-4H3 |
| InChIKey | ZHVHKJSNIQSZKL-UHFFFAOYSA-N |
| Molecular Weight | 324.461 g/mol |
| SMILES | CC(CC(OC(CCCC(OCCCCC)=O)=O)C#CCC)C |