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diethyl 3-(4-Methylphenyl)-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4,5-dicarboxylate
SpectraBase Compound ID K6iAmEUwYob
InChI InChI=1S/C25H23N3O4/c1-4-31-24(29)19-15-26-23-21(20(19)25(30)32-5-2)22(17-13-11-16(3)12-14-17)27-28(23)18-9-7-6-8-10-18/h6-15H,4-5H2,1-3H3
InChIKey KMWNKVYEVCYDQX-UHFFFAOYSA-N
Mol Weight 429.48 g/mol
Molecular Formula C25H23N3O4
Exact Mass 429.168856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDo3FnRmgf7
Name diethyl 3-(4-Methylphenyl)-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4,5-dicarboxylate
Appearance White solid
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Exact Mass 429.168856229 u
Formula C25H23N3O4
InChI InChI=1S/C25H23N3O4/c1-4-31-24(29)19-15-26-23-21(20(19)25(30)32-5-2)22(17-13-11-16(3)12-14-17)27-28(23)18-9-7-6-8-10-18/h6-15H,4-5H2,1-3H3
InChIKey KMWNKVYEVCYDQX-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701761
Molecular Weight 429.476 g/mol
Quality 83
Reported Formula C25H23N3O4
SMILES C1=NC2=C(C(=C1C(=O)OCC)C(OCC)=O)C(=NN2C1=CC=CC=C1)C1=CC=C(C=C1)C
SPLASH splash10-004i-0000900000-3d92e578a103c0603ecf
Source of Spectrum K1-2018-1571-26 (DOI: 10.1002/ejoc.201701761)
Wiley ID 1893989