| SpectraBase Compound ID | KdSsf5zOenP |
|---|---|
| InChI | InChI=1S/C19H34Cl2O4/c1-2-3-4-9-12-15-24-18(22)13-10-7-5-6-8-11-14-19(23)25-16-17(20)21/h17H,2-16H2,1H3 |
| InChIKey | QLJZMZLGDQEOIW-UHFFFAOYSA-N |
| Mol Weight | 397.4 g/mol |
| Molecular Formula | C19H34Cl2O4 |
| Exact Mass | 396.183415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 53QhFq5y4vP |
|---|---|
| Name | Sebacic acid, 2,2-dichloroethyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.183414971 u |
| Formula | C19H34Cl2O4 |
| InChI | InChI=1S/C19H34Cl2O4/c1-2-3-4-9-12-15-24-18(22)13-10-7-5-6-8-11-14-19(23)25-16-17(20)21/h17H,2-16H2,1H3 |
| InChIKey | QLJZMZLGDQEOIW-UHFFFAOYSA-N |
| Molecular Weight | 397.383 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCCCC)=O)(OCC(Cl)Cl)=O |