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3-Phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-yn-1-one
SpectraBase Compound ID I1F1wP9cY6D
InChI InChI=1S/C16H9F3O/c17-16(18,19)14-9-7-13(8-10-14)15(20)11-6-12-4-2-1-3-5-12/h1-5,7-10H
InChIKey MWGLXUHTYIHCES-UHFFFAOYSA-N
Mol Weight 274.24 g/mol
Molecular Formula C16H9F3O
Exact Mass 274.060549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OVH2zX7gVY
Name 3-Phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one
Appearance Light brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9F3O
InChI InChI=1S/C16H9F3O/c17-16(18,19)14-9-7-13(8-10-14)15(20)11-6-12-4-2-1-3-5-12/h1-5,7-10H
InChIKey MWGLXUHTYIHCES-UHFFFAOYSA-N
Instrument Name Finnigan MAT TSQ 7000
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.262
Molecular Weight 274.242 g/mol
SMILES c1cc(ccc1C(F)(F)F)C(=O)C#Cc1ccccc1
SPLASH splash10-004j-1790000000-788bfa9c7113efddc703
Source of Spectrum BJO-15-SM8-3d
Thin-Layer Chromatography Rf = 0.11 (n-hexane/EtOAc, 20:1)
Wiley ID 1840959