| SpectraBase Compound ID | IvIr2LTcHfk |
|---|---|
| InChI | InChI=1S/C23H44O4/c1-3-5-7-9-10-12-17-21-27-23(25)19-15-13-14-18-22(24)26-20-16-11-8-6-4-2/h3-21H2,1-2H3 |
| InChIKey | AGRWNYGYLWIWRW-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C23H44O4 |
| Exact Mass | 384.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3fSc7VLXocd |
|---|---|
| Name | Pimelic acid, heptyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.323959893 u |
| Formula | C23H44O4 |
| InChI | InChI=1S/C23H44O4/c1-3-5-7-9-10-12-17-21-27-23(25)19-15-13-14-18-22(24)26-20-16-11-8-6-4-2/h3-21H2,1-2H3 |
| InChIKey | AGRWNYGYLWIWRW-UHFFFAOYSA-N |
| Molecular Weight | 384.601 g/mol |
| SMILES | C(OCCCCCCC)(=O)CCCCCC(OCCCCCCCCC)=O |