| SpectraBase Compound ID | ASwANzvzK2P |
|---|---|
| InChI | InChI=1S/C14H19F7O4/c1-4-7-24-9(22)11(5-2,6-3)10(23)25-8-12(15,16)13(17,18)14(19,20)21/h4-8H2,1-3H3 |
| InChIKey | JTQWDBBWAQXEMN-UHFFFAOYSA-N |
| Mol Weight | 384.29 g/mol |
| Molecular Formula | C14H19F7O4 |
| Exact Mass | 384.117156 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AzdO7lZ5yP0 |
|---|---|
| Name | Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.117156229 u |
| Formula | C14H19F7O4 |
| InChI | InChI=1S/C14H19F7O4/c1-4-7-24-9(22)11(5-2,6-3)10(23)25-8-12(15,16)13(17,18)14(19,20)21/h4-8H2,1-3H3 |
| InChIKey | JTQWDBBWAQXEMN-UHFFFAOYSA-N |
| Molecular Weight | 384.291 g/mol |
| SMILES | CCC(C(OCCC)=O)(C(OCC(C(C(F)(F)F)(F)F)(F)F)=O)CC |