| SpectraBase Compound ID | 6ZKlX62km9O |
|---|---|
| InChI | InChI=1S/C11H17F3O4/c1-8(2)6-17-9(15)4-3-5-10(16)18-7-11(12,13)14/h8H,3-7H2,1-2H3 |
| InChIKey | ZCWXOIKXEBLDII-UHFFFAOYSA-N |
| Mol Weight | 270.25 g/mol |
| Molecular Formula | C11H17F3O4 |
| Exact Mass | 270.107894 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJURJ8EyifN |
|---|---|
| Name | Glutaric acid, 2,2,2-triluoroethyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.107893512 u |
| Formula | C11H17F3O4 |
| InChI | InChI=1S/C11H17F3O4/c1-8(2)6-17-9(15)4-3-5-10(16)18-7-11(12,13)14/h8H,3-7H2,1-2H3 |
| InChIKey | ZCWXOIKXEBLDII-UHFFFAOYSA-N |
| Molecular Weight | 270.248 g/mol |
| SMILES | C(CCCC(OCC(F)(F)F)=O)(OCC(C)C)=O |