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3-(4-Methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one
SpectraBase Compound ID 4GiU945d2ar
InChI InChI=1S/C17H11F3O2/c1-22-15-9-2-12(3-10-15)4-11-16(21)13-5-7-14(8-6-13)17(18,19)20/h2-3,5-10H,1H3
InChIKey TVFSBDBJVJNOAS-UHFFFAOYSA-N
Mol Weight 304.27 g/mol
Molecular Formula C17H11F3O2
Exact Mass 304.071114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkEsppUlkGY
Name 3-(4-Methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one
Appearance Beige solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11F3O2
InChI InChI=1S/C17H11F3O2/c1-22-15-9-2-12(3-10-15)4-11-16(21)13-5-7-14(8-6-13)17(18,19)20/h2-3,5-10H,1H3
InChIKey TVFSBDBJVJNOAS-UHFFFAOYSA-N
Instrument Name Finnigan MAT TSQ 7000
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.262
Molecular Weight 304.268 g/mol
SMILES c1cc(ccc1C(F)(F)F)C(=O)C#Cc1ccc(cc1)OC
SPLASH splash10-0pb9-0925000000-8f4f845f4f8a1f6b0e81
Source of Spectrum BJO-15-SM13-3l
Thin-Layer Chromatography Rf = 0.27 (n-hexane/EtOAc, 20:1)
Wiley ID 1840967