| SpectraBase Compound ID | LgNDrzEC53y |
|---|---|
| InChI | InChI=1S/C25H48O5/c1-4-6-8-9-10-15-20-29-24(26)17-13-11-14-18-25(27)30-22-23(19-21-28-3)16-12-7-5-2/h23H,4-22H2,1-3H3 |
| InChIKey | IVPDZAXYSFWLLE-UHFFFAOYSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C25H48O5 |
| Exact Mass | 428.350175 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 | 6WQoXPvxG83 |
|---|---|
| Name | Pimelic acid, 2-(2-methoxyethyl)heptyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 428.350174641 u |
| Formula | C25H48O5 |
| InChI | InChI=1S/C25H48O5/c1-4-6-8-9-10-15-20-29-24(26)17-13-11-14-18-25(27)30-22-23(19-21-28-3)16-12-7-5-2/h23H,4-22H2,1-3H3 |
| InChIKey | IVPDZAXYSFWLLE-UHFFFAOYSA-N |
| Molecular Weight | 428.654 g/mol |
| SMILES | C(OCC(CCOC)CCCCC)(=O)CCCCCC(OCCCCCCCC)=O |