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1-(4-Chlorophenyl)-3,3,3-trifluoro-1-phenylpropan-1-ol

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1-(4-Chlorophenyl)-3,3,3-trifluoro-1-phenylpropan-1-ol
SpectraBase Compound ID BGggfvTEx3I
InChI InChI=1S/C15H12ClF3O/c16-13-8-6-12(7-9-13)14(20,10-15(17,18)19)11-4-2-1-3-5-11/h1-9,20H,10H2
InChIKey KHRRIUUYROCWAQ-UHFFFAOYSA-N
Mol Weight 300.71 g/mol
Molecular Formula C15H12ClF3O
Exact Mass 300.052877 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DuoCePEKFiW
Name 1-(4-Chlorophenyl)-3,3,3-trifluoro-1-phenylpropan-1-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.052877194 u
Formula C15H12ClF3O
InChI InChI=1S/C15H12ClF3O/c16-13-8-6-12(7-9-13)14(20,10-15(17,18)19)11-4-2-1-3-5-11/h1-9,20H,10H2
InChIKey KHRRIUUYROCWAQ-UHFFFAOYSA-N
Molecular Weight 300.708 g/mol
SMILES C(CC(F)(F)F)(C1=CC=C(C=C1)Cl)(C1=CC=CC=C1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925473