| SpectraBase Compound ID | CsDKKFtJ8CF |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-3-5-7-9-11-13-18-24-20(22)16-15-17-21(23)25-19-14-12-10-8-6-4-2/h3-19H2,1-2H3 |
| InChIKey | RXJJVYBGRFLCOX-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 | BjVuMdisp67 |
|---|---|
| Name | Pentanedioic acid, dioctyl 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/c1-3-5-7-9-11-13-18-24-20(22)16-15-17-21(23)25-19-14-12-10-8-6-4-2/h3-19H2,1-2H3 |
| InChIKey | RXJJVYBGRFLCOX-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | CCCCCCCCOC(CCCC(OCCCCCCCC)=O)=O |