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3-(4-Chlorophenyl)-1,4,6-triphenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SpectraBase Compound ID C22IVmT5MaZ
InChI InChI=1S/C31H19ClN4/c32-24-18-16-23(17-19-24)30-28-27(21-10-4-1-5-11-21)26(20-33)29(22-12-6-2-7-13-22)34-31(28)36(35-30)25-14-8-3-9-15-25/h1-19H
InChIKey YGECGOPTKJJNNP-UHFFFAOYSA-N
Mol Weight 482.97 g/mol
Molecular Formula C31H19ClN4
Exact Mass 482.129824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XkuX6gsXw
Name 3-(4-Chlorophenyl)-1,4,6-triphenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
Appearance White crystalline
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Formula C31H19ClN4
InChI InChI=1S/C31H19ClN4/c32-24-18-16-23(17-19-24)30-28-27(21-10-4-1-5-11-21)26(20-33)29(22-12-6-2-7-13-22)34-31(28)36(35-30)25-14-8-3-9-15-25/h1-19H
InChIKey YGECGOPTKJJNNP-UHFFFAOYSA-N
Instrument Name Thermo Scientific ISQ LT GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202100302
Molecular Weight 482.974 g/mol
SMILES c1(n[n](c2nc(c(c(c12)-c1ccccc1)C#N)-c1ccccc1)-c1ccccc1)-c1ccc(cc1)Cl
SPLASH splash10-00ku-1489600000-4863ca302c2f1ed827b6
Source of Spectrum APC-355-SM65-9a
Wiley ID 1868696