| SpectraBase Compound ID | ADuWUOelheB |
|---|---|
| InChI | InChI=1S/C24H42O4/c1-3-5-7-9-10-11-12-13-15-17-22-28-24(26)20-18-19-23(25)27-21-16-14-8-6-4-2/h3-4,6,8-22H2,1-2H3 |
| InChIKey | SYGSHFFPENYIJU-UHFFFAOYSA-N |
| Mol Weight | 394.6 g/mol |
| Molecular Formula | C24H42O4 |
| Exact Mass | 394.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | i9pkwdPgO7 |
|---|---|
| Name | Glutaric acid, dodec-9-ynyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.308309828 u |
| Formula | C24H42O4 |
| InChI | InChI=1S/C24H42O4/c1-3-5-7-9-10-11-12-13-15-17-22-28-24(26)20-18-19-23(25)27-21-16-14-8-6-4-2/h3-4,6,8-22H2,1-2H3 |
| InChIKey | SYGSHFFPENYIJU-UHFFFAOYSA-N |
| Molecular Weight | 394.596 g/mol |
| SMILES | C(C#CCCCCCCCCOC(CCCC(OCCCCCCC)=O)=O)C |