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diethyl 1-(4-Chlorophenyl)-3-phenyl-1H-pyrazolo[3,4-b]pyridine-4,5-dicarboxylate
SpectraBase Compound ID DTrYHEBWhuB
InChI InChI=1S/C24H20ClN3O4/c1-3-31-23(29)18-14-26-22-20(19(18)24(30)32-4-2)21(15-8-6-5-7-9-15)27-28(22)17-12-10-16(25)11-13-17/h5-14H,3-4H2,1-2H3
InChIKey UIVCUGDMUWVJAC-UHFFFAOYSA-N
Mol Weight 449.89 g/mol
Molecular Formula C24H20ClN3O4
Exact Mass 449.114234 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5wZPEQ3Ste9
Name diethyl 1-(4-Chlorophenyl)-3-phenyl-1H-pyrazolo[3,4-b]pyridine-4,5-dicarboxylate
Appearance White solid
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Formula C24H20ClN3O4
InChI InChI=1S/C24H20ClN3O4/c1-3-31-23(29)18-14-26-22-20(19(18)24(30)32-4-2)21(15-8-6-5-7-9-15)27-28(22)17-12-10-16(25)11-13-17/h5-14H,3-4H2,1-2H3
InChIKey UIVCUGDMUWVJAC-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701761
Molecular Weight 449.894 g/mol
Quality 120
Reported Formula C24H20ClN3O4
SMILES C1=NC2=C(C(=C1C(=O)OCC)C(OCC)=O)C(=NN2C1=CC=C(C=C1)Cl)C1=CC=CC=C1
SPLASH splash10-0f6t-0002900000-148ac05ce481c01c593f
Source of Spectrum K1-2018-1570-21 (DOI: 10.1002/ejoc.201701761)
Wiley ID 1893984