| SpectraBase Compound ID | 20vH0h1PDD7 |
|---|---|
| InChI | InChI=1S/C13H19F5O4/c1-4-7-21-9(19)11(5-2,6-3)10(20)22-8-12(14,15)13(16,17)18/h4-8H2,1-3H3 |
| InChIKey | LSHAEGYZNQABIS-UHFFFAOYSA-N |
| Mol Weight | 334.28 g/mol |
| Molecular Formula | C13H19F5O4 |
| Exact Mass | 334.12035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kpcjbw5cSel |
|---|---|
| Name | Diethylmalonic acid, 2,2,3,3,3-pentafluoropropyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.120349903 u |
| Formula | C13H19F5O4 |
| InChI | InChI=1S/C13H19F5O4/c1-4-7-21-9(19)11(5-2,6-3)10(20)22-8-12(14,15)13(16,17)18/h4-8H2,1-3H3 |
| InChIKey | LSHAEGYZNQABIS-UHFFFAOYSA-N |
| Molecular Weight | 334.283 g/mol |
| SMILES | C(C(C(OCCC)=O)(CC)CC)(OCC(F)(F)C(F)(F)F)=O |