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4-(4-Chlorophenyl)-2-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-6-(thiophen-2-yl)pyridine
SpectraBase Compound ID 4pTeHH7ZhuO
InChI InChI=1S/C25H18ClN3S/c1-17-22(16-27-29(17)21-6-3-2-4-7-21)23-14-19(18-9-11-20(26)12-10-18)15-24(28-23)25-8-5-13-30-25/h2-16H,1H3
InChIKey NWCAIWSYBOHKHV-UHFFFAOYSA-N
Mol Weight 427.95 g/mol
Molecular Formula C25H18ClN3S
Exact Mass 427.090996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H45FHGBZuI7
Name 4-(4-Chlorophenyl)-2-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-6-(thiophen-2-yl)pyridine
Appearance Yellow solid
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Formula C25H18ClN3S
InChI InChI=1S/C25H18ClN3S/c1-17-22(16-27-29(17)21-6-3-2-4-7-21)23-14-19(18-9-11-20(26)12-10-18)15-24(28-23)25-8-5-13-30-25/h2-16H,1H3
InChIKey NWCAIWSYBOHKHV-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2790
Molecular Weight 427.953 g/mol
SMILES c1(Cl)ccc(cc1)-c1cc(nc(c1)-c1sccc1)-c1cn[n](c1C)-c1ccccc1
SPLASH splash10-0a70-8920200000-23b225aceb998fc67b24
Source of Spectrum Y-54-1947-4i
Wiley ID 1878373