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1-(4-Chlorophenyl)-2-(4-fluorophenyl)-4-phenyl-1H-pyrrole
SpectraBase Compound ID FBnK1Tct1kv
InChI InChI=1S/C22H15ClFN/c23-19-8-12-21(13-9-19)25-15-18(16-4-2-1-3-5-16)14-22(25)17-6-10-20(24)11-7-17/h1-15H
InChIKey MLXGYAUBBISAHL-UHFFFAOYSA-N
Mol Weight 347.82 g/mol
Molecular Formula C22H15ClFN
Exact Mass 347.087705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExEyTsY4ytY
Name 1-(4-Chlorophenyl)-2-(4-fluorophenyl)-4-phenyl-1H-pyrrole
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.087705350 u
Formula C22H15ClFN
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/C22H15ClFN/c23-19-8-12-21(13-9-19)25-15-18(16-4-2-1-3-5-16)14-22(25)17-6-10-20(24)11-7-17/h1-15H
InChIKey MLXGYAUBBISAHL-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 347.820 g/mol
Quality 216
SMILES C1(Cl)=CC=C(C=C1)N1C(=CC(=C1)C1=CC=CC=C1)C1=CC=C(C=C1)F
SPLASH splash10-0002-1339000000-714b371c58abdc2d42af
Source of Spectrum QE-23-SM20-5r (DOI: 10.1002/chem.201703008)
Thin-Layer Chromatography 0.45 (n-pentane/Et2O, 97:3)
Wiley ID 1905702