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4-Chlorophenol, pentafluoropropionate

View entire compound with spectra: 1 NMR, and 1 FTIR

4-Chlorophenol, pentafluoropropionate
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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 91ORTMdKOnv
Name 4-Chlorophenol, pentafluoropropionate
Comments Computed using SmartSpectra Model v1.42
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
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964787