| SpectraBase Compound ID | 3KKtBGfh8nK |
|---|---|
| InChI | InChI=1S/C21H31FO4/c1-4-7-8-9-10-13-16-25-19(23)21(5-2,6-3)20(24)26-18-15-12-11-14-17(18)22/h11-12,14-15H,4-10,13,16H2,1-3H3 |
| InChIKey | VVOOXCSQTAHHDS-UHFFFAOYSA-N |
| Mol Weight | 366.47 g/mol |
| Molecular Formula | C21H31FO4 |
| Exact Mass | 366.220638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IQJSrmTuFnK |
|---|---|
| Name | Diethylmalonic acid, 2-fluorophenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.220637637 u |
| Formula | C21H31FO4 |
| InChI | InChI=1S/C21H31FO4/c1-4-7-8-9-10-13-16-25-19(23)21(5-2,6-3)20(24)26-18-15-12-11-14-17(18)22/h11-12,14-15H,4-10,13,16H2,1-3H3 |
| InChIKey | VVOOXCSQTAHHDS-UHFFFAOYSA-N |
| Molecular Weight | 366.473 g/mol |
| SMILES | CCC(C(OCCCCCCCC)=O)(C(OC1=C(C=CC=C1)F)=O)CC |