| SpectraBase Compound ID | 41EmboZAyjM |
|---|---|
| InChI | InChI=1S/C14H9F5O/c1-2-20-8-5-3-4-7(6-8)9-10(15)12(17)14(19)13(18)11(9)16/h3-6H,2H2,1H3 |
| InChIKey | HTQUBTUXCCSWNY-UHFFFAOYSA-N |
| Mol Weight | 288.22 g/mol |
| Molecular Formula | C14H9F5O |
| Exact Mass | 288.057356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ITUC9sKC5i0 |
|---|---|
| Name | 3'-Ethoxy-2,3,4,5,6-pentafluoro-1,1'-biphenyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.057355724 u |
| Formula | C14H9F5O |
| InChI | InChI=1S/C14H9F5O/c1-2-20-8-5-3-4-7(6-8)9-10(15)12(17)14(19)13(18)11(9)16/h3-6H,2H2,1H3 |
| InChIKey | HTQUBTUXCCSWNY-UHFFFAOYSA-N |
| Molecular Weight | 288.217 g/mol |
| SMILES | C=1C=C(OCC)C=C(C1)C=1C(=C(C(F)=C(F)C1F)F)F |