| SpectraBase Compound ID | BSKekcAJdb8 |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-5-9-11-13-16-20(7-3)26-22(24)18-15-19-23(25)27-21(8-4)17-14-12-10-6-2/h20-21H,5-10,15-19H2,1-4H3 |
| InChIKey | RINRYEIEVQJOER-UHFFFAOYSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C23H36O4 |
| Exact Mass | 376.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HT0SIg2EtsQ |
|---|---|
| Name | Glutaric acid, di(non-5-yn-3-yl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.261359635 u |
| Formula | C23H36O4 |
| InChI | InChI=1S/C23H36O4/c1-5-9-11-13-16-20(7-3)26-22(24)18-15-19-23(25)27-21(8-4)17-14-12-10-6-2/h20-21H,5-10,15-19H2,1-4H3 |
| InChIKey | RINRYEIEVQJOER-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | CCC(OC(CCCC(OC(CC)CC#CCCC)=O)=O)CC#CCCC |