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1-(2,6-Xylyl)-3,5-diphenyl-1H-pyrazole
SpectraBase Compound ID EUgsn0kMEM4
InChI InChI=1S/C23H20N2/c1-17-10-9-11-18(2)23(17)25-22(20-14-7-4-8-15-20)16-21(24-25)19-12-5-3-6-13-19/h3-16H,1-2H3
InChIKey IEUAIEIDBPQTOW-UHFFFAOYSA-N
Mol Weight 324.43 g/mol
Molecular Formula C23H20N2
Exact Mass 324.162649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KH2cnEUqvPh
Name 1-(2,6-Xylyl)-3,5-diphenyl-1H-pyrazole
Appearance Colorless solid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.162648652 u
Formula C23H20N2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C23H20N2/c1-17-10-9-11-18(2)23(17)25-22(20-14-7-4-8-15-20)16-21(24-25)19-12-5-3-6-13-19/h3-16H,1-2H3
InChIKey IEUAIEIDBPQTOW-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502995
Molecular Weight 324.427 g/mol
Quality 243
Reported Formula C23H20N2
SMILES C1(=NN(C(=C1)C1=CC=CC=C1)C1=C(C=CC=C1C)C)C1=CC=CC=C1
SPLASH splash10-05fr-1239000000-eec5cf7085ff7062ef96
Source of Spectrum QE-21-SM56-3u (DOI: 10.1002/chem.201502995)
Thin-Layer Chromatography 0.39 (hexane/EtOAc, 10:1)
Wiley ID 1907318