| SpectraBase Compound ID | GmRlJtMlCT8 |
|---|---|
| InChI | InChI=1S/C22H36O4/c1-6-8-9-10-17-25-21(23)13-11-14-22(24)26-20(16-15-18(3)4)19(5)12-7-2/h19-20H,3,6-14,17H2,1-2,4-5H3 |
| InChIKey | GPXPZMOEWWUATR-UHFFFAOYSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C22H36O4 |
| Exact Mass | 364.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kvs4fQ3WMi3 |
|---|---|
| Name | Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.261359635 u |
| Formula | C22H36O4 |
| InChI | InChI=1S/C22H36O4/c1-6-8-9-10-17-25-21(23)13-11-14-22(24)26-20(16-15-18(3)4)19(5)12-7-2/h19-20H,3,6-14,17H2,1-2,4-5H3 |
| InChIKey | GPXPZMOEWWUATR-UHFFFAOYSA-N |
| Molecular Weight | 364.526 g/mol |
| SMILES | C=C(C#CC(OC(CCCC(OCCCCCC)=O)=O)C(CCC)C)C |