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4-(4-Fluorophenyl)-4-oxo-2-phenylbutanal
SpectraBase Compound ID EB97gHLnoyU
InChI InChI=1S/C16H13FO2/c17-15-8-6-13(7-9-15)16(19)10-14(11-18)12-4-2-1-3-5-12/h1-9,11,14H,10H2
InChIKey JDQBEJDCZMPXTI-UHFFFAOYSA-N
Mol Weight 256.28 g/mol
Molecular Formula C16H13FO2
Exact Mass 256.089958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5NGBBPXkm5u
Name 4-(4-Fluorophenyl)-4-oxo-2-phenylbutanal
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.089957820 u
Formula C16H13FO2
GC Column HP-5MS (0.25 mm x 30 m, film thickness 0.25 micrometer)
GC Oven Program Oven temp 290oC or 320oC
InChI InChI=1S/C16H13FO2/c17-15-8-6-13(7-9-15)16(19)10-14(11-18)12-4-2-1-3-5-12/h1-9,11,14H,10H2
InChIKey JDQBEJDCZMPXTI-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-Agilent 5975C VL MSD or Agilent 5975
Ionization Type EI
Literature Reference DOI 10.1002/chem.201703008
Molecular Weight 256.276 g/mol
Quality 126
SMILES C1(F)=CC=C(C=C1)C(CC(C=O)C1=CC=CC=C1)=O
SPLASH splash10-00fr-5930000000-dcffb2c5405d67cb50c6
Source of Spectrum QE-23-SM28-28-1 (DOI: 10.1002/chem.201703008)
Thin-Layer Chromatography 0.27 (n-pentane/Et2O, 10:1)
Wiley ID 1905683