| SpectraBase Compound ID | KCV5ghmIlMQ |
|---|---|
| InChI | InChI=1S/C16H29FO4/c1-4-7-8-9-10-12-20-14(18)16(5-2,6-3)15(19)21-13-11-17/h4-13H2,1-3H3 |
| InChIKey | BWMLKJKQFYKIEJ-UHFFFAOYSA-N |
| Mol Weight | 304.4 g/mol |
| Molecular Formula | C16H29FO4 |
| Exact Mass | 304.204988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BL5ndMOsWqD |
|---|---|
| Name | Diethylmalonic acid, 2-fluoroethyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.204987573 u |
| Formula | C16H29FO4 |
| InChI | InChI=1S/C16H29FO4/c1-4-7-8-9-10-12-20-14(18)16(5-2,6-3)15(19)21-13-11-17/h4-13H2,1-3H3 |
| InChIKey | BWMLKJKQFYKIEJ-UHFFFAOYSA-N |
| Molecular Weight | 304.402 g/mol |
| SMILES | C(C(C(OCCCCCCC)=O)(CC)CC)(OCCF)=O |