| SpectraBase Compound ID | 2D2BGjomTdq |
|---|---|
| InChI | InChI=1S/C12H14F8O4/c1-2-3-4-23-7(21)5-8(22)24-6-10(15,16)12(19,20)11(17,18)9(13)14/h9H,2-6H2,1H3 |
| InChIKey | QOOYOAVOVBGFEB-UHFFFAOYSA-N |
| Mol Weight | 374.23 g/mol |
| Molecular Formula | C12H14F8O4 |
| Exact Mass | 374.076434 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H0SHPdLwyln |
|---|---|
| Name | Malonic acid, butyl 2,2,3,3,4,4,5,5-octafluoropentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.076434231 u |
| Formula | C12H14F8O4 |
| InChI | InChI=1S/C12H14F8O4/c1-2-3-4-23-7(21)5-8(22)24-6-10(15,16)12(19,20)11(17,18)9(13)14/h9H,2-6H2,1H3 |
| InChIKey | QOOYOAVOVBGFEB-UHFFFAOYSA-N |
| Molecular Weight | 374.227 g/mol |
| SMILES | C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(CC(OCCCC)=O)=O |