| SpectraBase Compound ID | 5gKwOQcsReR |
|---|---|
| InChI | InChI=1S/C23H44O5/c1-4-6-8-13-18-27-22(24)15-11-9-12-16-23(25)28-20-21(17-19-26-3)14-10-7-5-2/h21H,4-20H2,1-3H3 |
| InChIKey | ZTPLASWACWAEAZ-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 | AVZkbIU1Oyq |
|---|---|
| Name | Pimelic acid, hexyl 2-(2-methoxyethyl)heptyl 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/c1-4-6-8-13-18-27-22(24)15-11-9-12-16-23(25)28-20-21(17-19-26-3)14-10-7-5-2/h21H,4-20H2,1-3H3 |
| InChIKey | ZTPLASWACWAEAZ-UHFFFAOYSA-N |
| Molecular Weight | 400.600 g/mol |
| SMILES | C(OCC(CCOC)CCCCC)(=O)CCCCCC(OCCCCCC)=O |