| SpectraBase Compound ID | D6dttQM8XGT |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-5-8-10-12-15-19(7-3)25-21(23)17-13-16-20(22)24-18(4)14-11-9-6-2/h18-19H,5-9,11,13-17H2,1-4H3 |
| InChIKey | OZHZUSLZBYRIDG-UHFFFAOYSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Z5F9G0P0S9 |
|---|---|
| Name | Glutaric acid, hept-2-yl non-5-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.261359635 u |
| Formula | C21H36O4 |
| InChI | InChI=1S/C21H36O4/c1-5-8-10-12-15-19(7-3)25-21(23)17-13-16-20(22)24-18(4)14-11-9-6-2/h18-19H,5-9,11,13-17H2,1-4H3 |
| InChIKey | OZHZUSLZBYRIDG-UHFFFAOYSA-N |
| Molecular Weight | 352.515 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OC(CC)CC#CCCC)=O |