| SpectraBase Compound ID | DbqdLh86NoB |
|---|---|
| InChI | InChI=1S/C13H20F4O4/c1-4-7-20-10(18)12(5-2,6-3)11(19)21-8-13(16,17)9(14)15/h9H,4-8H2,1-3H3 |
| InChIKey | NPGZXNMHKWXWJV-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 | COpPorirgGM |
|---|---|
| Name | Diethylmalonic acid, propyl 2,2,3,3-tetrafluoropropyl 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/c1-4-7-20-10(18)12(5-2,6-3)11(19)21-8-13(16,17)9(14)15/h9H,4-8H2,1-3H3 |
| InChIKey | NPGZXNMHKWXWJV-UHFFFAOYSA-N |
| Molecular Weight | 316.293 g/mol |
| SMILES | C(C(C(OCCC)=O)(CC)CC)(OCC(C(F)F)(F)F)=O |