| SpectraBase Compound ID | K95nRJyyy8k |
|---|---|
| InChI | InChI=1S/C11H17Cl3O4/c1-2-7-17-9(15)5-3-4-6-10(16)18-8-11(12,13)14/h2-8H2,1H3 |
| InChIKey | PBDQYFDNQMMOJM-UHFFFAOYSA-N |
| Mol Weight | 319.61 g/mol |
| Molecular Formula | C11H17Cl3O4 |
| Exact Mass | 318.019242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4K6NPzvdyH6 |
|---|---|
| Name | Adipic acid, propyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.019242123 u |
| Formula | C11H17Cl3O4 |
| InChI | InChI=1S/C11H17Cl3O4/c1-2-7-17-9(15)5-3-4-6-10(16)18-8-11(12,13)14/h2-8H2,1H3 |
| InChIKey | PBDQYFDNQMMOJM-UHFFFAOYSA-N |
| Molecular Weight | 319.612 g/mol |
| SMILES | C(CCCCC(OCC(Cl)(Cl)Cl)=O)(OCCC)=O |