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3,4-Bis(4-chlorophenyl)-1,6-diphenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SpectraBase Compound ID 7AfqREQgVwQ
InChI InChI=1S/C31H18Cl2N4/c32-23-15-11-20(12-16-23)27-26(19-34)29(21-7-3-1-4-8-21)35-31-28(27)30(22-13-17-24(33)18-14-22)36-37(31)25-9-5-2-6-10-25/h1-18H
InChIKey ZIPJYYXJFSDJBK-UHFFFAOYSA-N
Mol Weight 517.42 g/mol
Molecular Formula C31H18Cl2N4
Exact Mass 516.090852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vLVB8DLlVe
Name 3,4-Bis(4-chlorophenyl)-1,6-diphenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
Appearance Off-white needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H18Cl2N4
InChI InChI=1S/C31H18Cl2N4/c32-23-15-11-20(12-16-23)27-26(19-34)29(21-7-3-1-4-8-21)35-31-28(27)30(22-13-17-24(33)18-14-22)36-37(31)25-9-5-2-6-10-25/h1-18H
InChIKey ZIPJYYXJFSDJBK-UHFFFAOYSA-N
Instrument Name Thermo Scientific ISQ LT GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202100302
Molecular Weight 517.419 g/mol
SMILES c1(n[n](c2nc(c(c(c12)-c1ccc(cc1)Cl)C#N)-c1ccccc1)-c1ccccc1)-c1ccc(cc1)Cl
SPLASH splash10-02u3-4655930000-1d0e1c8d3634b52231d9
Source of Spectrum APC-355-SM65-9b
Wiley ID 1868697