| SpectraBase Compound ID | BOs6i7oAYiT |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-3-5-6-7-8-11-14-17-20-26-22(24)19-16-13-10-9-12-15-18-21(23)25-4-2/h3-20H2,1-2H3 |
| InChIKey | DXWCPLYYRLBVQI-UHFFFAOYSA-N |
| Mol Weight | 370.6 g/mol |
| Molecular Formula | C22H42O4 |
| Exact Mass | 370.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BxSZdJdN98x |
|---|---|
| Name | Sebacic acid, decyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.308309828 u |
| Formula | C22H42O4 |
| InChI | InChI=1S/C22H42O4/c1-3-5-6-7-8-11-14-17-20-26-22(24)19-16-13-10-9-12-15-18-21(23)25-4-2/h3-20H2,1-2H3 |
| InChIKey | DXWCPLYYRLBVQI-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(CCC(OCC)=O)CCCCCC(OCCCCCCCCCC)=O |