| SpectraBase Compound ID | IMEDrjc3MJt |
|---|---|
| InChI | InChI=1S/C25H48O4/c1-4-7-9-10-11-12-13-17-21-28-24(26)19-15-14-16-20-25(27)29-22-23(6-3)18-8-5-2/h23H,4-22H2,1-3H3 |
| InChIKey | CQVAAOFPRGLGQJ-UHFFFAOYSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C25H48O4 |
| Exact Mass | 412.35526 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 | Aha8z86hnyw |
|---|---|
| Name | Pimelic acid, decyl 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.355260022 u |
| Formula | C25H48O4 |
| InChI | InChI=1S/C25H48O4/c1-4-7-9-10-11-12-13-17-21-28-24(26)19-15-14-16-20-25(27)29-22-23(6-3)18-8-5-2/h23H,4-22H2,1-3H3 |
| InChIKey | CQVAAOFPRGLGQJ-UHFFFAOYSA-N |
| Molecular Weight | 412.655 g/mol |
| SMILES | C(OCC(CC)CCCC)(=O)CCCCCC(OCCCCCCCCCC)=O |