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4-Chloro-3-methylphenol, chlorodifluoroacetate

View entire compound with spectra: 1 FTIR

4-Chloro-3-methylphenol, chlorodifluoroacetate
SpectraBase Compound ID 75xFSnM7BVU
InChI InChI=1S/C9H6Cl2F2O2/c1-5-4-6(2-3-7(5)10)15-8(14)9(11,12)13/h2-4H,1H3
InChIKey XFVREBIGHRYCBD-UHFFFAOYSA-N
Mol Weight 255.05 g/mol
Molecular Formula C9H6Cl2F2O2
Exact Mass 253.971291 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ClHhJWDLETY
Name 4-Chloro-3-methylphenol, chlorodifluoroacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.971291157 u
Formula C9H6Cl2F2O2
InChI InChI=1S/C9H6Cl2F2O2/c1-5-4-6(2-3-7(5)10)15-8(14)9(11,12)13/h2-4H,1H3
InChIKey XFVREBIGHRYCBD-UHFFFAOYSA-N
Molecular Weight 255.048 g/mol
SMILES C1=C(C(=CC=C1OC(C(F)(F)Cl)=O)Cl)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937095