| SpectraBase Compound ID | KXUzyHOCuWh |
|---|---|
| InChI | InChI=1S/C25H44O4/c1-3-5-7-9-11-12-13-14-16-18-23-29-25(27)21-19-20-24(26)28-22-17-15-10-8-6-4-2/h3-4,6,8-23H2,1-2H3 |
| InChIKey | KMFIGQCPMADFIZ-UHFFFAOYSA-N |
| Mol Weight | 408.6 g/mol |
| Molecular Formula | C25H44O4 |
| Exact Mass | 408.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GrpfXUUZU8Q |
|---|---|
| Name | Glutaric acid, dodec-9-ynyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.323959893 u |
| Formula | C25H44O4 |
| InChI | InChI=1S/C25H44O4/c1-3-5-7-9-11-12-13-14-16-18-23-29-25(27)21-19-20-24(26)28-22-17-15-10-8-6-4-2/h3-4,6,8-23H2,1-2H3 |
| InChIKey | KMFIGQCPMADFIZ-UHFFFAOYSA-N |
| Molecular Weight | 408.623 g/mol |
| SMILES | C(C#CCCCCCCCCOC(CCCC(OCCCCCCCC)=O)=O)C |