| SpectraBase Compound ID | JedgSMOBW8N |
|---|---|
| InChI | InChI=1S/C22H40Cl2O4/c23-17-11-5-1-3-7-13-19-27-21(25)15-9-10-16-22(26)28-20-14-8-4-2-6-12-18-24/h1-20H2 |
| InChIKey | JSYHJQNEMOYMQH-UHFFFAOYSA-N |
| Mol Weight | 439.5 g/mol |
| Molecular Formula | C22H40Cl2O4 |
| Exact Mass | 438.230365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 34TV53K8cMU |
|---|---|
| Name | Adipic acid, di(8-chloroctyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.230365164 u |
| Formula | C22H40Cl2O4 |
| InChI | InChI=1S/C22H40Cl2O4/c23-17-11-5-1-3-7-13-19-27-21(25)15-9-10-16-22(26)28-20-14-8-4-2-6-12-18-24/h1-20H2 |
| InChIKey | JSYHJQNEMOYMQH-UHFFFAOYSA-N |
| Molecular Weight | 439.464 g/mol |
| SMILES | C(OCCCCCCCCCl)(CCCCC(OCCCCCCCCCl)=O)=O |