| SpectraBase Compound ID | 5qzkFUXxXJ0 |
|---|---|
| InChI | InChI=1S/C16H20F2O4/c1-4-16(5-2,14(19)21-6-3)15(20)22-10-11-7-8-12(17)13(18)9-11/h7-9H,4-6,10H2,1-3H3 |
| InChIKey | HIBNRAXLMZAGIG-UHFFFAOYSA-N |
| Mol Weight | 314.33 g/mol |
| Molecular Formula | C16H20F2O4 |
| Exact Mass | 314.132965 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G9rPs3N6zRE |
|---|---|
| Name | Diethylmalonic acid, 3,4-difluorobenzyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.132965446 u |
| Formula | C16H20F2O4 |
| InChI | InChI=1S/C16H20F2O4/c1-4-16(5-2,14(19)21-6-3)15(20)22-10-11-7-8-12(17)13(18)9-11/h7-9H,4-6,10H2,1-3H3 |
| InChIKey | HIBNRAXLMZAGIG-UHFFFAOYSA-N |
| Molecular Weight | 314.329 g/mol |
| SMILES | CCC(C(OCC)=O)(C(OCC1=CC=C(C(=C1)F)F)=O)CC |