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2,4-Dichloro-5-methylphenol, o-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

2,4-Dichloro-5-methylphenol, o-heptafluorobutyryl-
SpectraBase Compound ID SvWO5P8fSM
InChI InChI=1S/C11H5Cl2F7O2/c1-4-2-7(6(13)3-5(4)12)22-8(21)9(14,15)10(16,17)11(18,19)20/h2-3H,1H3
InChIKey FVAAJDSIEZLSIX-UHFFFAOYSA-N
Mol Weight 373.05 g/mol
Molecular Formula C11H5Cl2F7O2
Exact Mass 371.955482 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lwve6s0CWdW
Name 2,4-Dichloro-5-methylphenol, o-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.955481940 u
Formula C11H5Cl2F7O2
InChI InChI=1S/C11H5Cl2F7O2/c1-4-2-7(6(13)3-5(4)12)22-8(21)9(14,15)10(16,17)11(18,19)20/h2-3H,1H3
InChIKey FVAAJDSIEZLSIX-UHFFFAOYSA-N
Molecular Weight 373.054 g/mol
SMILES CC1=C(Cl)C=C(C(=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.816766