| SpectraBase Compound ID | B4Z8YYszBxG |
|---|---|
| InChI | InChI=1S/C23H42Cl2O4/c1-3-23(4-2,21(26)28-19-15-11-7-5-9-13-17-24)22(27)29-20-16-12-8-6-10-14-18-25/h3-20H2,1-2H3 |
| InChIKey | FMHWGGNEXKANLA-UHFFFAOYSA-N |
| Mol Weight | 453.5 g/mol |
| Molecular Formula | C23H42Cl2O4 |
| Exact Mass | 452.246015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6KzfYC1lwWE |
|---|---|
| Name | Diethylmalonic acid, di(8-chlorooctyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 452.246015228 u |
| Formula | C23H42Cl2O4 |
| InChI | InChI=1S/C23H42Cl2O4/c1-3-23(4-2,21(26)28-19-15-11-7-5-9-13-17-24)22(27)29-20-16-12-8-6-10-14-18-25/h3-20H2,1-2H3 |
| InChIKey | FMHWGGNEXKANLA-UHFFFAOYSA-N |
| Molecular Weight | 453.491 g/mol |
| SMILES | C(C(C(OCCCCCCCCCl)=O)(CC)CC)(OCCCCCCCCCl)=O |