| SpectraBase Compound ID | AWxyyIRgKPa |
|---|---|
| InChI | InChI=1S/C15H25Cl3O4/c1-2-3-4-5-6-7-11-21-13(19)9-8-10-14(20)22-12-15(16,17)18/h2-12H2,1H3 |
| InChIKey | ASIRGVDRVVQNDH-UHFFFAOYSA-N |
| Mol Weight | 375.72 g/mol |
| Molecular Formula | C15H25Cl3O4 |
| Exact Mass | 374.081842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2u4NJx7IzM5 |
|---|---|
| Name | Glutaric acid, octyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.081842381 u |
| Formula | C15H25Cl3O4 |
| InChI | InChI=1S/C15H25Cl3O4/c1-2-3-4-5-6-7-11-21-13(19)9-8-10-14(20)22-12-15(16,17)18/h2-12H2,1H3 |
| InChIKey | ASIRGVDRVVQNDH-UHFFFAOYSA-N |
| Molecular Weight | 375.720 g/mol |
| SMILES | CCCCCCCCOC(CCCC(OCC(Cl)(Cl)Cl)=O)=O |