| SpectraBase Compound ID | 80bgHhK9BXu |
|---|---|
| InChI | InChI=1S/C14H18F8O4/c1-2-3-7-25-9(23)5-4-6-10(24)26-8-12(17,18)14(21,22)13(19,20)11(15)16/h11H,2-8H2,1H3 |
| InChIKey | LYPAMHBKYJXVLJ-UHFFFAOYSA-N |
| Mol Weight | 402.28 g/mol |
| Molecular Formula | C14H18F8O4 |
| Exact Mass | 402.107734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JgRxJBSWcYX |
|---|---|
| Name | Glutaric acid, butyl 2,2,3,3,4,4,5,5-octafluoropentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.107734360 u |
| Formula | C14H18F8O4 |
| InChI | InChI=1S/C14H18F8O4/c1-2-3-7-25-9(23)5-4-6-10(24)26-8-12(17,18)14(21,22)13(19,20)11(15)16/h11H,2-8H2,1H3 |
| InChIKey | LYPAMHBKYJXVLJ-UHFFFAOYSA-N |
| Molecular Weight | 402.281 g/mol |
| SMILES | CCCCOC(CCCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)=O |