| SpectraBase Compound ID | GRBop3sHCwl |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-3-5-7-9-10-11-16-20-26-22(24)18-14-12-13-17-21(23)25-19-15-8-6-4-2/h3-20H2,1-2H3 |
| InChIKey | CMOGBERBERZITK-UHFFFAOYSA-N |
| Mol Weight | 370.6 g/mol |
| Molecular Formula | C22H42O4 |
| Exact Mass | 370.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6pXp426y2G4 |
|---|---|
| Name | Pimelic acid, hexyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.308309828 u |
| Formula | C22H42O4 |
| InChI | InChI=1S/C22H42O4/c1-3-5-7-9-10-11-16-20-26-22(24)18-14-12-13-17-21(23)25-19-15-8-6-4-2/h3-20H2,1-2H3 |
| InChIKey | CMOGBERBERZITK-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | CCCCCCOC(=O)CCCCCC(OCCCCCCCCC)=O |