| SpectraBase Compound ID | 16kxK7Hk5CO |
|---|---|
| InChI | InChI=1S/C15H21F7O4/c1-4-7-8-25-10(23)12(5-2,6-3)11(24)26-9-13(16,17)14(18,19)15(20,21)22/h4-9H2,1-3H3 |
| InChIKey | QVGZVUXDHYKBQR-UHFFFAOYSA-N |
| Mol Weight | 398.32 g/mol |
| Molecular Formula | C15H21F7O4 |
| Exact Mass | 398.132806 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | F5B7XRWtBUj |
|---|---|
| Name | Diethylmalonic acid, butyl 2,2,3,3,4,4,4-heptafluorobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.132806293 u |
| Formula | C15H21F7O4 |
| InChI | InChI=1S/C15H21F7O4/c1-4-7-8-25-10(23)12(5-2,6-3)11(24)26-9-13(16,17)14(18,19)15(20,21)22/h4-9H2,1-3H3 |
| InChIKey | QVGZVUXDHYKBQR-UHFFFAOYSA-N |
| Molecular Weight | 398.318 g/mol |
| SMILES | CCC(C(OCCCC)=O)(C(OCC(C(C(F)(F)F)(F)F)(F)F)=O)CC |