| SpectraBase Compound ID | JfoNBq4dmzi |
|---|---|
| InChI | InChI=1S/C14H21F5O4/c1-4-7-8-22-10(20)12(5-2,6-3)11(21)23-9-13(15,16)14(17,18)19/h4-9H2,1-3H3 |
| InChIKey | ZBODCMOJWRLIJY-UHFFFAOYSA-N |
| Mol Weight | 348.31 g/mol |
| Molecular Formula | C14H21F5O4 |
| Exact Mass | 348.136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | r5agR3sgSy |
|---|---|
| Name | Diethylmalonic acid, butyl 2,2,3,3,3-pentafluoropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.135999967 u |
| Formula | C14H21F5O4 |
| InChI | InChI=1S/C14H21F5O4/c1-4-7-8-22-10(20)12(5-2,6-3)11(21)23-9-13(15,16)14(17,18)19/h4-9H2,1-3H3 |
| InChIKey | ZBODCMOJWRLIJY-UHFFFAOYSA-N |
| Molecular Weight | 348.310 g/mol |
| SMILES | C(C(C(OCCCC)=O)(CC)CC)(OCC(F)(F)C(F)(F)F)=O |