| SpectraBase Compound ID | 8b88qXPYmuI |
|---|---|
| InChI | InChI=1S/C19H34Cl2O4/c20-13-9-5-1-3-7-11-15-24-18(22)17-19(23)25-16-12-8-4-2-6-10-14-21/h1-17H2 |
| InChIKey | XPFJQQXPWSKDES-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 | DHRsOL9bsEi |
|---|---|
| Name | Malonic acid, di(8-chlorooctyl) 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/c20-13-9-5-1-3-7-11-15-24-18(22)17-19(23)25-16-12-8-4-2-6-10-14-21/h1-17H2 |
| InChIKey | XPFJQQXPWSKDES-UHFFFAOYSA-N |
| Molecular Weight | 397.383 g/mol |
| SMILES | C(C(OCCCCCCCCCl)=O)C(OCCCCCCCCCl)=O |