| SpectraBase Compound ID | 37w1I2KEmMj |
|---|---|
| InChI | InChI=1S/C20H36Cl2O4/c1-2-3-4-5-6-7-8-9-10-13-16-25-19(23)14-11-12-15-20(24)26-17-18(21)22/h18H,2-17H2,1H3 |
| InChIKey | LGDOJQYVUWBOOP-UHFFFAOYSA-N |
| Mol Weight | 411.4 g/mol |
| Molecular Formula | C20H36Cl2O4 |
| Exact Mass | 410.199065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | APif3UWZ2aG |
|---|---|
| Name | Adipic acid, 2,2-dichloroethyl dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.199065035 u |
| Formula | C20H36Cl2O4 |
| InChI | InChI=1S/C20H36Cl2O4/c1-2-3-4-5-6-7-8-9-10-13-16-25-19(23)14-11-12-15-20(24)26-17-18(21)22/h18H,2-17H2,1H3 |
| InChIKey | LGDOJQYVUWBOOP-UHFFFAOYSA-N |
| Molecular Weight | 411.410 g/mol |
| SMILES | C(C(OCC(Cl)Cl)=O)CCCC(OCCCCCCCCCCCC)=O |