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diethyl 1-(4-Bromophenyl)-3-phenyl-1H-pyrazolo[3,4-b]pyridine-4,5-dicarboxylate
SpectraBase Compound ID Lwy6IKzQzKs
InChI InChI=1S/C24H20BrN3O4/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 FJCKDQRBYBGTMQ-UHFFFAOYSA-N
Mol Weight 494.35 g/mol
Molecular Formula C24H20BrN3O4
Exact Mass 493.063719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkgBWyxq90F
Name diethyl 1-(4-Bromophenyl)-3-phenyl-1H-pyrazolo[3,4-b]pyridine-4,5-dicarboxylate
Appearance White solid
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Exact Mass 493.063719132 u
Formula C24H20BrN3O4
InChI InChI=1S/C24H20BrN3O4/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 FJCKDQRBYBGTMQ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701761
Molecular Weight 494.345 g/mol
Reported Formula C24H20BrN3O4
SMILES C1=NC2=C(C(=C1C(=O)OCC)C(OCC)=O)C(=NN2C1=CC=C(C=C1)Br)C1=CC=CC=C1
SPLASH splash10-0f6t-0000900000-e99b2b7c762270d167c2
Source of Spectrum K1-2018-1570-22 (DOI: 10.1002/ejoc.201701761)
Wiley ID 1893985