| SpectraBase Compound ID | 5smdE90Z5kN |
|---|---|
| InChI | InChI=1S/C15H24F4O4/c1-4-7-8-9-22-12(20)14(5-2,6-3)13(21)23-10-15(18,19)11(16)17/h11H,4-10H2,1-3H3 |
| InChIKey | LZFYZFZDJRLBDF-UHFFFAOYSA-N |
| Mol Weight | 344.35 g/mol |
| Molecular Formula | C15H24F4O4 |
| Exact Mass | 344.161072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ccxxk0Yz5oj |
|---|---|
| Name | Diethylmalonic acid, pentyl 2,2,3,3-tetrafluoropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.161071901 u |
| Formula | C15H24F4O4 |
| InChI | InChI=1S/C15H24F4O4/c1-4-7-8-9-22-12(20)14(5-2,6-3)13(21)23-10-15(18,19)11(16)17/h11H,4-10H2,1-3H3 |
| InChIKey | LZFYZFZDJRLBDF-UHFFFAOYSA-N |
| Molecular Weight | 344.347 g/mol |
| SMILES | C(C(C(OCCCCC)=O)(CC)CC)(OCC(C(F)F)(F)F)=O |