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1-(2,5-Difluorophenyl)-3-(4-tolyl)prop-2-yn-1-one

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

1-(2,5-Difluorophenyl)-3-(4-tolyl)prop-2-yn-1-one
SpectraBase Compound ID IP9EDgv8HSM
InChI InChI=1S/C16H10F2O/c1-11-2-4-12(5-3-11)6-9-16(19)14-10-13(17)7-8-15(14)18/h2-5,7-8,10H,1H3
InChIKey YCGXCXBFJSBOMP-UHFFFAOYSA-N
Mol Weight 256.25 g/mol
Molecular Formula C16H10F2O
Exact Mass 256.069971 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EziiI9sTQh1
Name 1-(2,5-Difluorophenyl)-3-(4-tolyl)prop-2-yn-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.069971267 u
Formula C16H10F2O
InChI InChI=1S/C16H10F2O/c1-11-2-4-12(5-3-11)6-9-16(19)14-10-13(17)7-8-15(14)18/h2-5,7-8,10H,1H3
InChIKey YCGXCXBFJSBOMP-UHFFFAOYSA-N
Molecular Weight 256.252 g/mol
SMILES C(#CC=1C=CC(=CC1)C)C(C1=C(C=CC(=C1)F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915055