| SpectraBase Compound ID | BBVQaLF0tdN |
|---|---|
| InChI | InChI=1S/C16H17F5O4/c1-4-16(5-2,14(22)24-6-3)15(23)25-7-8-9(17)11(19)13(21)12(20)10(8)18/h4-7H2,1-3H3 |
| InChIKey | IHJXMRKEGKMCMD-UHFFFAOYSA-N |
| Mol Weight | 368.3 g/mol |
| Molecular Formula | C16H17F5O4 |
| Exact Mass | 368.1047 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KDKWAWxxjb9 |
|---|---|
| Name | Diethylmalonic acid, ethyl pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.104699838 u |
| Formula | C16H17F5O4 |
| InChI | InChI=1S/C16H17F5O4/c1-4-16(5-2,14(22)24-6-3)15(23)25-7-8-9(17)11(19)13(21)12(20)10(8)18/h4-7H2,1-3H3 |
| InChIKey | IHJXMRKEGKMCMD-UHFFFAOYSA-N |
| Molecular Weight | 368.300 g/mol |
| SMILES | CCC(C(OCC)=O)(C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC |