| SpectraBase Compound ID | BJ4mtltBH5 |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-3-5-7-9-14-18-24-20(22)16-12-11-13-17-21(23)25-19-15-10-8-6-4-2/h3-19H2,1-2H3 |
| InChIKey | WCTIHOKUQRCVCX-UHFFFAOYSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C21H40O4 |
| Exact Mass | 356.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D56L8PyxQbh |
|---|---|
| Name | Pimelic acid, di(heptyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.292659764 u |
| Formula | C21H40O4 |
| InChI | InChI=1S/C21H40O4/c1-3-5-7-9-14-18-24-20(22)16-12-11-13-17-21(23)25-19-15-10-8-6-4-2/h3-19H2,1-2H3 |
| InChIKey | WCTIHOKUQRCVCX-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | C(OCCCCCCC)(=O)CCCCCC(OCCCCCCC)=O |