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4-(2,4-Dichlorophenyl)-2-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-6-phenylpyridine
SpectraBase Compound ID CrWmsoQUd4Y
InChI InChI=1S/C27H19Cl2N3/c1-18-24(17-30-32(18)22-10-6-3-7-11-22)27-15-20(23-13-12-21(28)16-25(23)29)14-26(31-27)19-8-4-2-5-9-19/h2-17H,1H3
InChIKey KFPXYVGROUHOHU-UHFFFAOYSA-N
Mol Weight 456.38 g/mol
Molecular Formula C27H19Cl2N3
Exact Mass 455.095603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9pVJFuA1xuF
Name 4-(2,4-Dichlorophenyl)-2-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-6-phenylpyridine
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H19Cl2N3
InChI InChI=1S/C27H19Cl2N3/c1-18-24(17-30-32(18)22-10-6-3-7-11-22)27-15-20(23-13-12-21(28)16-25(23)29)14-26(31-27)19-8-4-2-5-9-19/h2-17H,1H3
InChIKey KFPXYVGROUHOHU-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2790
Molecular Weight 456.376 g/mol
SMILES c1(Cl)cc(c(cc1)-c1cc(nc(c1)-c1ccccc1)-c1cn[n](c1C)-c1ccccc1)Cl
SPLASH splash10-0a4i-8940100000-430384b1e5e793973f66
Source of Spectrum Y-54-1946-4d
Wiley ID 1878368