| SpectraBase Compound ID | K9PSGGDXY1f |
|---|---|
| InChI | InChI=1S/C14H13F5O4/c1-14(2)22-5-6(23-14)3-4-21-13(20)7-8(15)10(17)12(19)11(18)9(7)16/h6H,3-5H2,1-2H3 |
| InChIKey | YLPBNRUZQLZQKY-UHFFFAOYSA-N |
| Mol Weight | 340.25 g/mol |
| Molecular Formula | C14H13F5O4 |
| Exact Mass | 340.0734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | v4c2sSrtSy |
|---|---|
| Name | 2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethyl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.073399710 u |
| Formula | C14H13F5O4 |
| InChI | InChI=1S/C14H13F5O4/c1-14(2)22-5-6(23-14)3-4-21-13(20)7-8(15)10(17)12(19)11(18)9(7)16/h6H,3-5H2,1-2H3 |
| InChIKey | YLPBNRUZQLZQKY-UHFFFAOYSA-N |
| Molecular Weight | 340.246 g/mol |
| SMILES | C1OC(OC1CCOC(C1=C(C(=C(C(=C1F)F)F)F)F)=O)(C)C |