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2,4-Dichlorophenol, pentafluoropropionate

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

2,4-Dichlorophenol, pentafluoropropionate
SpectraBase Compound ID ZZL4ijAS1u
InChI InChI=1S/C9H3Cl2F5O2/c10-4-1-2-6(5(11)3-4)18-7(17)8(12,13)9(14,15)16/h1-3H
InChIKey OYAADQAHUIZKNW-UHFFFAOYSA-N
Mol Weight 309.02 g/mol
Molecular Formula C9H3Cl2F5O2
Exact Mass 307.943026 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DYpIINSsOPL
Name 2,4-Dichlorophenol, pentafluoropropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.943025550 u
Formula C9H3Cl2F5O2
InChI InChI=1S/C9H3Cl2F5O2/c10-4-1-2-6(5(11)3-4)18-7(17)8(12,13)9(14,15)16/h1-3H
InChIKey OYAADQAHUIZKNW-UHFFFAOYSA-N
Molecular Weight 309.019 g/mol
SMILES C1(=CC(=CC=C1OC(C(C(F)(F)F)(F)F)=O)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944384