| SpectraBase Compound ID | G9SufuUgJ25 |
|---|---|
| InChI | InChI=1S/C22H40Cl2O4/c1-2-3-4-5-6-9-12-15-18-27-21(25)16-13-10-7-8-11-14-17-22(26)28-19-20(23)24/h20H,2-19H2,1H3 |
| InChIKey | FGRFUIXPGDIWGJ-UHFFFAOYSA-N |
| Mol Weight | 439.5 g/mol |
| Molecular Formula | C22H40Cl2O4 |
| Exact Mass | 438.230365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BI4yy9ig7Io |
|---|---|
| Name | Sebacic acid, decyl 2,2-dichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.230365164 u |
| Formula | C22H40Cl2O4 |
| InChI | InChI=1S/C22H40Cl2O4/c1-2-3-4-5-6-9-12-15-18-27-21(25)16-13-10-7-8-11-14-17-22(26)28-19-20(23)24/h20H,2-19H2,1H3 |
| InChIKey | FGRFUIXPGDIWGJ-UHFFFAOYSA-N |
| Molecular Weight | 439.464 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCCCCCCC)=O)(OCC(Cl)Cl)=O |