| SpectraBase Compound ID | CKAPWJEaUGS |
|---|---|
| InChI | InChI=1S/C13H20F4O4/c1-12(2,3)7-20-9(18)5-4-6-10(19)21-8-13(16,17)11(14)15/h11H,4-8H2,1-3H3 |
| InChIKey | DQKROZYCRYODBL-UHFFFAOYSA-N |
| Mol Weight | 316.29 g/mol |
| Molecular Formula | C13H20F4O4 |
| Exact Mass | 316.129772 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GNl8BBOPPl6 |
|---|---|
| Name | Glutaric acid, 2,2,3,3-tetrafluoropropyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.129771772 u |
| Formula | C13H20F4O4 |
| InChI | InChI=1S/C13H20F4O4/c1-12(2,3)7-20-9(18)5-4-6-10(19)21-8-13(16,17)11(14)15/h11H,4-8H2,1-3H3 |
| InChIKey | DQKROZYCRYODBL-UHFFFAOYSA-N |
| Molecular Weight | 316.293 g/mol |
| SMILES | C(CCC(OCC(C(F)F)(F)F)=O)C(OCC(C)(C)C)=O |