| SpectraBase Compound ID | DiHMdfig9ZU |
|---|---|
| InChI | InChI=1S/C11H17Cl3O4/c1-8(2)6-17-9(15)4-3-5-10(16)18-7-11(12,13)14/h8H,3-7H2,1-2H3 |
| InChIKey | ITWOXHYBQPUWBS-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 | F006GM4gOr3 |
|---|---|
| Name | Glutaric acid, isobutyl 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/c1-8(2)6-17-9(15)4-3-5-10(16)18-7-11(12,13)14/h8H,3-7H2,1-2H3 |
| InChIKey | ITWOXHYBQPUWBS-UHFFFAOYSA-N |
| Molecular Weight | 319.612 g/mol |
| SMILES | CC(C)COC(=O)CCCC(OCC(Cl)(Cl)Cl)=O |