| SpectraBase Compound ID | FBbbqwfM9vg |
|---|---|
| InChI | InChI=1S/C23H44O5/c1-4-6-8-9-13-18-27-22(24)15-11-10-12-16-23(25)28-20-21(14-7-5-2)17-19-26-3/h21H,4-20H2,1-3H3 |
| InChIKey | SIWCZIWKKBXSCU-UHFFFAOYSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C23H44O5 |
| Exact Mass | 400.318875 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 | LvXuRaoNr84 |
|---|---|
| Name | Pimelic acid, heptyl 2-(2-methoxyethyl)hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.318874512 u |
| Formula | C23H44O5 |
| InChI | InChI=1S/C23H44O5/c1-4-6-8-9-13-18-27-22(24)15-11-10-12-16-23(25)28-20-21(14-7-5-2)17-19-26-3/h21H,4-20H2,1-3H3 |
| InChIKey | SIWCZIWKKBXSCU-UHFFFAOYSA-N |
| Molecular Weight | 400.600 g/mol |
| SMILES | C(OCC(CCOC)CCCC)(=O)CCCCCC(OCCCCCCC)=O |