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3,5-Bis(4-chlorophenyl)-1-mesityl-1H-pyrazole
SpectraBase Compound ID EXECKBi5JYw
InChI InChI=1S/C24H20Cl2N2/c1-15-12-16(2)24(17(3)13-15)28-23(19-6-10-21(26)11-7-19)14-22(27-28)18-4-8-20(25)9-5-18/h4-14H,1-3H3
InChIKey GLDSXPHDSZYJNU-UHFFFAOYSA-N
Mol Weight 407.34 g/mol
Molecular Formula C24H20Cl2N2
Exact Mass 406.100354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3m7U0ZyYTY
Name 3,5-Bis(4-chlorophenyl)-1-mesityl-1H-pyrazole
Appearance Yellowish-white oil
Carrier Gas Helium
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Formula C24H20Cl2N2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C24H20Cl2N2/c1-15-12-16(2)24(17(3)13-15)28-23(19-6-10-21(26)11-7-19)14-22(27-28)18-4-8-20(25)9-5-18/h4-14H,1-3H3
InChIKey GLDSXPHDSZYJNU-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502995
Molecular Weight 407.344 g/mol
Quality 289
Reported Formula C24H20Cl2N2
SMILES C1(=NN(C(=C1)C1=CC=C(C=C1)Cl)C1=C(C=C(C=C1C)C)C)C1=CC=C(C=C1)Cl
SPLASH splash10-052f-2339800000-935461f5793f8e3e5c67
Source of Spectrum QE-21-SM47-3b (DOI: 10.1002/chem.201502995)
Thin-Layer Chromatography 0.55 (hexane/EtOAc, 10:1)
Wiley ID 1907308