| SpectraBase Compound ID | H4JpBC0b9WJ |
|---|---|
| InChI | InChI=1S/C19H27FO4/c1-4-7-8-11-14-23-17(21)19(5-2,6-3)18(22)24-16-13-10-9-12-15(16)20/h9-10,12-13H,4-8,11,14H2,1-3H3 |
| InChIKey | KBYRKTJGIDRLAC-UHFFFAOYSA-N |
| Mol Weight | 338.42 g/mol |
| Molecular Formula | C19H27FO4 |
| Exact Mass | 338.189338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DAfxb0bLz0b |
|---|---|
| Name | Diethylmalonic acid, 2-fluorophenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.189337508 u |
| Formula | C19H27FO4 |
| InChI | InChI=1S/C19H27FO4/c1-4-7-8-11-14-23-17(21)19(5-2,6-3)18(22)24-16-13-10-9-12-15(16)20/h9-10,12-13H,4-8,11,14H2,1-3H3 |
| InChIKey | KBYRKTJGIDRLAC-UHFFFAOYSA-N |
| Molecular Weight | 338.419 g/mol |
| SMILES | CCC(C(OCCCCCC)=O)(C(OC1=C(C=CC=C1)F)=O)CC |