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diethyl 1-(4-Methoxylphenyl)-3-phenyl-1H-pyrazolo[3,4-b]pyridine-4,5-dicarboxylate
SpectraBase Compound ID 92JtTYCXxH0
InChI InChI=1S/C25H23N3O5/c1-4-32-24(29)19-15-26-23-21(20(19)25(30)33-5-2)22(16-9-7-6-8-10-16)27-28(23)17-11-13-18(31-3)14-12-17/h6-15H,4-5H2,1-3H3
InChIKey TWQAVMCUHXYSIM-UHFFFAOYSA-N
Mol Weight 445.48 g/mol
Molecular Formula C25H23N3O5
Exact Mass 445.163771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUrhico3EGI
Name diethyl 1-(4-Methoxylphenyl)-3-phenyl-1H-pyrazolo[3,4-b]pyridine-4,5-dicarboxylate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.163770848 u
Formula C25H23N3O5
InChI InChI=1S/C25H23N3O5/c1-4-32-24(29)19-15-26-23-21(20(19)25(30)33-5-2)22(16-9-7-6-8-10-16)27-28(23)17-11-13-18(31-3)14-12-17/h6-15H,4-5H2,1-3H3
InChIKey TWQAVMCUHXYSIM-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701761
Molecular Weight 445.475 g/mol
Quality 74
SMILES C1=NC2=C(C(=C1C(=O)OCC)C(OCC)=O)C(=NN2C1=CC=C(C=C1)OC)C1=CC=CC=C1
SPLASH splash10-0002-0001900000-17230d712fffebb10de1
Source of Spectrum K1-2018-1570-23 (DOI: 10.1002/ejoc.201701761)
Wiley ID 1893986