| SpectraBase Compound ID | D94ufuwJYHI |
|---|---|
| InChI | InChI=1S/C20H34Cl2O4/c21-14-7-3-1-2-4-8-15-25-19(23)12-9-13-20(24)26-16-17-10-5-6-11-18(17)22/h17-18H,1-16H2 |
| InChIKey | KRGSMTNTYJUOOJ-UHFFFAOYSA-N |
| Mol Weight | 409.4 g/mol |
| Molecular Formula | C20H34Cl2O4 |
| Exact Mass | 408.183415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1KeIVnAG3KS |
|---|---|
| Name | Glutaric acid, (2-chlorocyclohexyl)methyl 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.183414971 u |
| Formula | C20H34Cl2O4 |
| InChI | InChI=1S/C20H34Cl2O4/c21-14-7-3-1-2-4-8-15-25-19(23)12-9-13-20(24)26-16-17-10-5-6-11-18(17)22/h17-18H,1-16H2 |
| InChIKey | KRGSMTNTYJUOOJ-UHFFFAOYSA-N |
| Molecular Weight | 409.394 g/mol |
| SMILES | C(CCC(OCCCCCCCCCl)=O)C(OCC1C(CCCC1)Cl)=O |