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4-Chloro-3-methylphenol, pentafluoropropionate

View entire compound with spectra: 1 FTIR

4-Chloro-3-methylphenol, pentafluoropropionate
SpectraBase Compound ID 15acyLcx3yG
InChI InChI=1S/C10H6ClF5O2/c1-5-4-6(2-3-7(5)11)18-8(17)9(12,13)10(14,15)16/h2-4H,1H3
InChIKey DAPIHBRWPQSBEM-UHFFFAOYSA-N
Mol Weight 288.6 g/mol
Molecular Formula C10H6ClF5O2
Exact Mass 287.997648 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EtNqCiyE2Rz
Name 4-Chloro-3-methylphenol, pentafluoropropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.997647946 u
Formula C10H6ClF5O2
InChI InChI=1S/C10H6ClF5O2/c1-5-4-6(2-3-7(5)11)18-8(17)9(12,13)10(14,15)16/h2-4H,1H3
InChIKey DAPIHBRWPQSBEM-UHFFFAOYSA-N
Molecular Weight 288.601 g/mol
SMILES C1=C(C(=CC=C1OC(C(C(F)(F)F)(F)F)=O)Cl)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.82841