| SpectraBase Compound ID | 9zj6cFEj1bp |
|---|---|
| InChI | InChI=1S/C18H24F2O4/c1-5-18(6-2,16(21)23-10-12(3)4)17(22)24-11-13-7-8-14(19)15(20)9-13/h7-9,12H,5-6,10-11H2,1-4H3 |
| InChIKey | ZICCWDANXNQPTP-UHFFFAOYSA-N |
| Mol Weight | 342.38 g/mol |
| Molecular Formula | C18H24F2O4 |
| Exact Mass | 342.164266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HbUhWrCG4di |
|---|---|
| Name | Diethylmalonic acid, 3,4-difluorobenzyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.164265575 u |
| Formula | C18H24F2O4 |
| InChI | InChI=1S/C18H24F2O4/c1-5-18(6-2,16(21)23-10-12(3)4)17(22)24-11-13-7-8-14(19)15(20)9-13/h7-9,12H,5-6,10-11H2,1-4H3 |
| InChIKey | ZICCWDANXNQPTP-UHFFFAOYSA-N |
| Molecular Weight | 342.383 g/mol |
| SMILES | CCC(C(OCC(C)C)=O)(C(OCC1=CC(=C(C=C1)F)F)=O)CC |