| SpectraBase Compound ID | K1Fk1BLdDXV |
|---|---|
| InChI | InChI=1S/C21H40O5/c1-3-4-5-6-11-14-17-25-20(22)15-12-9-7-8-10-13-16-21(23)26-19-18-24-2/h3-19H2,1-2H3 |
| InChIKey | QEWOFMYPSQOTBO-UHFFFAOYSA-N |
| Mol Weight | 372.5 g/mol |
| Molecular Formula | C21H40O5 |
| Exact Mass | 372.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FT8wiqKbtHz |
|---|---|
| Name | Sebacic acid, 2-methoxyethyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.287574383 u |
| Formula | C21H40O5 |
| InChI | InChI=1S/C21H40O5/c1-3-4-5-6-11-14-17-25-20(22)15-12-9-7-8-10-13-16-21(23)26-19-18-24-2/h3-19H2,1-2H3 |
| InChIKey | QEWOFMYPSQOTBO-UHFFFAOYSA-N |
| Molecular Weight | 372.546 g/mol |
| SMILES | C(OC(CCCCCCCCC(OCCCCCCCC)=O)=O)COC |