| SpectraBase Compound ID | LAjfLd9BVKB |
|---|---|
| InChI | InChI=1S/C23H44O5/c1-5-6-7-8-9-10-14-18-27-22(24)15-12-11-13-16-23(25)28-21(3)20(2)17-19-26-4/h20-21H,5-19H2,1-4H3 |
| InChIKey | PHKCIBBKAKQSBD-UHFFFAOYSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C23H44O5 |
| Exact Mass | 400.318875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cad6yHu2Rwc |
|---|---|
| Name | Pimelic acid, 5-methoxy-3-methylpent-2-yl nonyl 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/c1-5-6-7-8-9-10-14-18-27-22(24)15-12-11-13-16-23(25)28-21(3)20(2)17-19-26-4/h20-21H,5-19H2,1-4H3 |
| InChIKey | PHKCIBBKAKQSBD-UHFFFAOYSA-N |
| Molecular Weight | 400.600 g/mol |
| SMILES | C(OC(C(C)CCOC)C)(=O)CCCCCC(OCCCCCCCCC)=O |