| SpectraBase Compound ID | ouvc1e6hjs |
|---|---|
| InChI | InChI=1S/C12H11F5O4/c1-19-2-3-20-4-5-21-12(18)6-7(13)9(15)11(17)10(16)8(6)14/h2-5H2,1H3 |
| InChIKey | JXOQNHMYTDLJAU-UHFFFAOYSA-N |
| Mol Weight | 314.21 g/mol |
| Molecular Formula | C12H11F5O4 |
| Exact Mass | 314.05775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9oWmuDn3Twe |
|---|---|
| Name | 2-(2-Methoxyethoxy)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 | 314.057749645 u |
| Formula | C12H11F5O4 |
| InChI | InChI=1S/C12H11F5O4/c1-19-2-3-20-4-5-21-12(18)6-7(13)9(15)11(17)10(16)8(6)14/h2-5H2,1H3 |
| InChIKey | JXOQNHMYTDLJAU-UHFFFAOYSA-N |
| Molecular Weight | 314.208 g/mol |
| SMILES | COCCOCCOC(C1=C(C(=C(C(=C1F)F)F)F)F)=O |