| SpectraBase Compound ID | HL0iBU5EHsI |
|---|---|
| InChI | InChI=1S/C16H26F4O4/c1-4-7-8-9-10-23-13(21)15(5-2,6-3)14(22)24-11-16(19,20)12(17)18/h12H,4-11H2,1-3H3 |
| InChIKey | IRSZJBCSGQGHKA-UHFFFAOYSA-N |
| Mol Weight | 358.37 g/mol |
| Molecular Formula | C16H26F4O4 |
| Exact Mass | 358.176722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HzJb1D9xwHT |
|---|---|
| Name | Diethylmalonic acid, hexyl 2,2,3,3-tetrafluoropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.176721965 u |
| Formula | C16H26F4O4 |
| InChI | InChI=1S/C16H26F4O4/c1-4-7-8-9-10-23-13(21)15(5-2,6-3)14(22)24-11-16(19,20)12(17)18/h12H,4-11H2,1-3H3 |
| InChIKey | IRSZJBCSGQGHKA-UHFFFAOYSA-N |
| Molecular Weight | 358.374 g/mol |
| SMILES | C(C(C(OCCCCCC)=O)(CC)CC)(OCC(C(F)F)(F)F)=O |