| SpectraBase Compound ID | LGaU5cA55nJ |
|---|---|
| InChI | InChI=1S/C18H21F5O4/c1-4-7-8-26-16(24)18(5-2,6-3)17(25)27-9-10-11(19)13(21)15(23)14(22)12(10)20/h4-9H2,1-3H3 |
| InChIKey | OAWLEFSIILUEAX-UHFFFAOYSA-N |
| Mol Weight | 396.35 g/mol |
| Molecular Formula | C18H21F5O4 |
| Exact Mass | 396.136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Vmiq6iA6e0 |
|---|---|
| Name | Diethylmalonic acid, butyl pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.135999967 u |
| Formula | C18H21F5O4 |
| InChI | InChI=1S/C18H21F5O4/c1-4-7-8-26-16(24)18(5-2,6-3)17(25)27-9-10-11(19)13(21)15(23)14(22)12(10)20/h4-9H2,1-3H3 |
| InChIKey | OAWLEFSIILUEAX-UHFFFAOYSA-N |
| Molecular Weight | 396.354 g/mol |
| SMILES | CCC(C(OCCCC)=O)(C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC |