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1-(3-Chloro-2-tolyl)-3,5-diphenyl-1H-pyrazole
SpectraBase Compound ID ADhPqvbJx1G
InChI InChI=1S/C22H17ClN2/c1-16-19(23)13-8-14-21(16)25-22(18-11-6-3-7-12-18)15-20(24-25)17-9-4-2-5-10-17/h2-15H,1H3
InChIKey SWZVPUGNJJWLJZ-UHFFFAOYSA-N
Mol Weight 344.85 g/mol
Molecular Formula C22H17ClN2
Exact Mass 344.108026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQ9hEjNy9b
Name 1-(3-Chloro-2-tolyl)-3,5-diphenyl-1H-pyrazole
Appearance Yellowish-white solid
Carrier Gas Helium
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Exact Mass 344.108026255 u
Formula C22H17ClN2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C22H17ClN2/c1-16-19(23)13-8-14-21(16)25-22(18-11-6-3-7-12-18)15-20(24-25)17-9-4-2-5-10-17/h2-15H,1H3
InChIKey SWZVPUGNJJWLJZ-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502995
Molecular Weight 344.845 g/mol
Quality 233
Reported Formula C22H17ClN2
SMILES C=1(Cl)C(=C(C=CC1)N1N=C(C=C1C1=CC=CC=C1)C1=CC=CC=C1)C
SPLASH splash10-0006-1119000000-b9df1a325b42855826e5
Source of Spectrum QE-21-SM57-3w (DOI: 10.1002/chem.201502995)
Thin-Layer Chromatography 0.57 (hexane/EtOAc, 10:1)
Wiley ID 1907319