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3-(4-Chlorophenyl)-4-(4-hydroxyphenyl)-1,6-diphenyl-1H-pyrazolo-[3,4-b]pyridine-5-carbonitrile
SpectraBase Compound ID DXwnmMmovP
InChI InChI=1S/C31H19ClN4O/c32-23-15-11-22(12-16-23)30-28-27(20-13-17-25(37)18-14-20)26(19-33)29(21-7-3-1-4-8-21)34-31(28)36(35-30)24-9-5-2-6-10-24/h1-18,37H
InChIKey ATHMSJYGEFBAQW-UHFFFAOYSA-N
Mol Weight 498.97 g/mol
Molecular Formula C31H19ClN4O
Exact Mass 498.124739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4d25MeNVme2
Name 3-(4-Chlorophenyl)-4-(4-hydroxyphenyl)-1,6-diphenyl-1H-pyrazolo-[3,4-b]pyridine-5-carbonitrile
Appearance Off-white powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H19ClN4O
InChI InChI=1S/C31H19ClN4O/c32-23-15-11-22(12-16-23)30-28-27(20-13-17-25(37)18-14-20)26(19-33)29(21-7-3-1-4-8-21)34-31(28)36(35-30)24-9-5-2-6-10-24/h1-18,37H
InChIKey ATHMSJYGEFBAQW-UHFFFAOYSA-N
Instrument Name Thermo Scientific ISQ LT GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202100302
Molecular Weight 498.973 g/mol
SMILES Oc1ccc(-c2c(c(nc3[n](nc(c23)-c2ccc(cc2)Cl)-c2ccccc2)-c2ccccc2)C#N)cc1
SPLASH splash10-00ea-9745400000-2fdee17afb384a0749e5
Source of Spectrum APC-355-SM66-9c
Wiley ID 1868698