| SpectraBase Compound ID | Gc2khzOV5I8 |
|---|---|
| InChI | InChI=1S/C25H48O6/c1-5-7-12-22(16-18-28-3)20-30-24(26)14-10-9-11-15-25(27)31-21-23(13-8-6-2)17-19-29-4/h22-23H,5-21H2,1-4H3 |
| InChIKey | WVBXPEDPLDLCJD-UHFFFAOYSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C25H48O6 |
| Exact Mass | 444.345089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DgDg9oFqQWA |
|---|---|
| Name | Pimelic acid, di(2-(2-methoxyethyl)hexyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 444.345089260 u |
| Formula | C25H48O6 |
| InChI | InChI=1S/C25H48O6/c1-5-7-12-22(16-18-28-3)20-30-24(26)14-10-9-11-15-25(27)31-21-23(13-8-6-2)17-19-29-4/h22-23H,5-21H2,1-4H3 |
| InChIKey | WVBXPEDPLDLCJD-UHFFFAOYSA-N |
| Molecular Weight | 444.653 g/mol |
| SMILES | C(OCC(CCOC)CCCC)(=O)CCCCCC(OCC(CCCC)CCOC)=O |