| SpectraBase Compound ID | BSJ6OPwjvMt |
|---|---|
| InChI | InChI=1S/C22H42O5/c1-3-5-6-7-12-15-18-26-21(23)16-13-10-8-9-11-14-17-22(24)27-20-19-25-4-2/h3-20H2,1-2H3 |
| InChIKey | HWYFPZPKWILTKQ-UHFFFAOYSA-N |
| Mol Weight | 386.6 g/mol |
| Molecular Formula | C22H42O5 |
| Exact Mass | 386.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BKuNpuC0cpB |
|---|---|
| Name | Sebacic acid, 2-ethoxyethyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.303224447 u |
| Formula | C22H42O5 |
| InChI | InChI=1S/C22H42O5/c1-3-5-6-7-12-15-18-26-21(23)16-13-10-8-9-11-14-17-22(24)27-20-19-25-4-2/h3-20H2,1-2H3 |
| InChIKey | HWYFPZPKWILTKQ-UHFFFAOYSA-N |
| Molecular Weight | 386.573 g/mol |
| SMILES | C(C(OCCOCC)=O)CCCCCCCC(OCCCCCCCC)=O |