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4-Chloro-2-methoxyphenol, trifluoroacetate

View entire compound with spectra: 1 FTIR

4-Chloro-2-methoxyphenol, trifluoroacetate
SpectraBase Compound ID JS9mePbi4TX
InChI InChI=1S/C9H6ClF3O3/c1-15-7-4-5(10)2-3-6(7)16-8(14)9(11,12)13/h2-4H,1H3
InChIKey MNUWEZFDMBWNLJ-UHFFFAOYSA-N
Mol Weight 254.59 g/mol
Molecular Formula C9H6ClF3O3
Exact Mass 253.995756 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JeO5k7lo2QC
Name 4-Chloro-2-methoxyphenol, trifluoroacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.995756239 u
Formula C9H6ClF3O3
InChI InChI=1S/C9H6ClF3O3/c1-15-7-4-5(10)2-3-6(7)16-8(14)9(11,12)13/h2-4H,1H3
InChIKey MNUWEZFDMBWNLJ-UHFFFAOYSA-N
Molecular Weight 254.592 g/mol
SMILES C1(=C(C=C(C=C1)Cl)OC)OC(=O)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.806081