| SpectraBase Compound ID | J8UpjOVIw5t |
|---|---|
| InChI | InChI=1S/C15H8ClF5O2/c16-11-5-1-9(2-6-11)10-3-7-12(8-4-10)23-13(22)14(17,18)15(19,20)21/h1-8H |
| InChIKey | SHAWPNAOSAVZPR-UHFFFAOYSA-N |
| Mol Weight | 350.67 g/mol |
| Molecular Formula | C15H8ClF5O2 |
| Exact Mass | 350.013298 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 35vjiPYOzBe |
|---|---|
| Name | 4-Hydroxy-4'-chlorobiphenyl, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.013298011 u |
| Formula | C15H8ClF5O2 |
| InChI | InChI=1S/C15H8ClF5O2/c16-11-5-1-9(2-6-11)10-3-7-12(8-4-10)23-13(22)14(17,18)15(19,20)21/h1-8H |
| InChIKey | SHAWPNAOSAVZPR-UHFFFAOYSA-N |
| Molecular Weight | 350.672 g/mol |
| SMILES | C1(C2=CC=C(C=C2)Cl)=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O |