| SpectraBase Compound ID | 6gsEd13mMMp |
|---|---|
| InChI | InChI=1S/C9H4ClF5O2/c10-5-1-3-6(4-2-5)17-7(16)8(11,12)9(13,14)15/h1-4H |
| InChIKey | YCKSZSZUKVLFDI-UHFFFAOYSA-N |
| Mol Weight | 274.57 g/mol |
| Molecular Formula | C9H4ClF5O2 |
| Exact Mass | 273.981998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JFRL4SNXcMJ |
|---|---|
| Name | 4-Chlorophenol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.981997882 u |
| Formula | C9H4ClF5O2 |
| InChI | InChI=1S/C9H4ClF5O2/c10-5-1-3-6(4-2-5)17-7(16)8(11,12)9(13,14)15/h1-4H |
| InChIKey | YCKSZSZUKVLFDI-UHFFFAOYSA-N |
| Molecular Weight | 274.574 g/mol |
| SMILES | C1=CC(=CC=C1OC(C(C(F)(F)F)(F)F)=O)Cl |