| SpectraBase Compound ID | JcEUGDqLA7B |
|---|---|
| InChI | InChI=1S/C20H29FO4/c1-4-7-8-9-12-15-24-18(22)20(5-2,6-3)19(23)25-17-14-11-10-13-16(17)21/h10-11,13-14H,4-9,12,15H2,1-3H3 |
| InChIKey | MUCSPVQZPCGBHZ-UHFFFAOYSA-N |
| Mol Weight | 352.45 g/mol |
| Molecular Formula | C20H29FO4 |
| Exact Mass | 352.204988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5dc3Gd97FA3 |
|---|---|
| Name | Diethylmalonic acid, 2-fluorophenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.204987573 u |
| Formula | C20H29FO4 |
| InChI | InChI=1S/C20H29FO4/c1-4-7-8-9-12-15-24-18(22)20(5-2,6-3)19(23)25-17-14-11-10-13-16(17)21/h10-11,13-14H,4-9,12,15H2,1-3H3 |
| InChIKey | MUCSPVQZPCGBHZ-UHFFFAOYSA-N |
| Molecular Weight | 352.446 g/mol |
| SMILES | CCC(C(OCCCCCCC)=O)(C(OC1=C(C=CC=C1)F)=O)CC |