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2-Chloro-5-methylphenol, chlorodifluoroacetate

View entire compound with spectra: 1 FTIR

2-Chloro-5-methylphenol, chlorodifluoroacetate
SpectraBase Compound ID JjIC4mmSnbk
InChI InChI=1S/C9H6Cl2F2O2/c1-5-2-3-6(10)7(4-5)15-8(14)9(11,12)13/h2-4H,1H3
InChIKey QMKLLMRZUGYBKS-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 Do5HUm72hQO
Name 2-Chloro-5-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/c1-5-2-3-6(10)7(4-5)15-8(14)9(11,12)13/h2-4H,1H3
InChIKey QMKLLMRZUGYBKS-UHFFFAOYSA-N
Molecular Weight 255.048 g/mol
SMILES C1(=CC=C(C=C1OC(C(F)(F)Cl)=O)C)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869955