| SpectraBase Compound ID | H5KXBQvQc7O |
|---|---|
| InChI | InChI=1S/C16H25F5O4/c1-4-7-8-9-10-24-12(22)14(5-2,6-3)13(23)25-11-15(17,18)16(19,20)21/h4-11H2,1-3H3 |
| InChIKey | WBFNQJHEWSEJQO-UHFFFAOYSA-N |
| Mol Weight | 376.36 g/mol |
| Molecular Formula | C16H25F5O4 |
| Exact Mass | 376.1673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K7Ga1YhzhEg |
|---|---|
| Name | Diethylmalonic acid, hexyl 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 | 376.167300096 u |
| Formula | C16H25F5O4 |
| InChI | InChI=1S/C16H25F5O4/c1-4-7-8-9-10-24-12(22)14(5-2,6-3)13(23)25-11-15(17,18)16(19,20)21/h4-11H2,1-3H3 |
| InChIKey | WBFNQJHEWSEJQO-UHFFFAOYSA-N |
| Molecular Weight | 376.364 g/mol |
| SMILES | C(C(C(OCCCCCC)=O)(CC)CC)(OCC(F)(F)C(F)(F)F)=O |