| SpectraBase Compound ID | Are9OIUVoeu |
|---|---|
| InChI | InChI=1S/C23H42Cl2O4/c1-2-3-4-5-6-7-10-13-16-19-28-22(26)17-14-11-8-9-12-15-18-23(27)29-20-21(24)25/h21H,2-20H2,1H3 |
| InChIKey | BQHLNJZKTOPKFN-UHFFFAOYSA-N |
| Mol Weight | 453.5 g/mol |
| Molecular Formula | C23H42Cl2O4 |
| Exact Mass | 452.246015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GjnJM4fVlD |
|---|---|
| Name | Sebacic acid, 2,2-dichloroethyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 452.246015228 u |
| Formula | C23H42Cl2O4 |
| InChI | InChI=1S/C23H42Cl2O4/c1-2-3-4-5-6-7-10-13-16-19-28-22(26)17-14-11-8-9-12-15-18-23(27)29-20-21(24)25/h21H,2-20H2,1H3 |
| InChIKey | BQHLNJZKTOPKFN-UHFFFAOYSA-N |
| Molecular Weight | 453.491 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCCCCCCCC)=O)(OCC(Cl)Cl)=O |