| SpectraBase Compound ID | IMCsUcMNwSy |
|---|---|
| InChI | InChI=1S/C17H30Cl2O4/c1-2-3-10-13-22-16(20)11-8-6-4-5-7-9-12-17(21)23-14-15(18)19/h15H,2-14H2,1H3 |
| InChIKey | PQNPDDVBZYZKSF-UHFFFAOYSA-N |
| Mol Weight | 369.33 g/mol |
| Molecular Formula | C17H30Cl2O4 |
| Exact Mass | 368.152115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3OOvqUeaZFT |
|---|---|
| Name | Sebacic acid, 2,2-dichloroethyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.152114842 u |
| Formula | C17H30Cl2O4 |
| InChI | InChI=1S/C17H30Cl2O4/c1-2-3-10-13-22-16(20)11-8-6-4-5-7-9-12-17(21)23-14-15(18)19/h15H,2-14H2,1H3 |
| InChIKey | PQNPDDVBZYZKSF-UHFFFAOYSA-N |
| Molecular Weight | 369.329 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCC)=O)(OCC(Cl)Cl)=O |