| SpectraBase Compound ID | p4QlhKhvrw |
|---|---|
| InChI | InChI=1S/C21H38Cl2O4/c22-16-9-5-1-3-7-11-18-26-20(24)14-13-15-21(25)27-19-12-8-4-2-6-10-17-23/h1-19H2 |
| InChIKey | YMTYKVSZHOIKLD-UHFFFAOYSA-N |
| Mol Weight | 425.4 g/mol |
| Molecular Formula | C21H38Cl2O4 |
| Exact Mass | 424.214715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FHFr3OwVWrL |
|---|---|
| Name | Glutaric acid, di(8-chlorooctyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.214715100 u |
| Formula | C21H38Cl2O4 |
| InChI | InChI=1S/C21H38Cl2O4/c22-16-9-5-1-3-7-11-18-26-20(24)14-13-15-21(25)27-19-12-8-4-2-6-10-17-23/h1-19H2 |
| InChIKey | YMTYKVSZHOIKLD-UHFFFAOYSA-N |
| Molecular Weight | 425.437 g/mol |
| SMILES | C(CCCCCCCOC(CCCC(OCCCCCCCCCl)=O)=O)Cl |