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diethyl 3-tert-Butyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4,5-dicarboxylate
SpectraBase Compound ID 2PbJAs6pc4J
InChI InChI=1S/C22H25N3O4/c1-6-28-20(26)15-13-23-19-17(16(15)21(27)29-7-2)18(22(3,4)5)24-25(19)14-11-9-8-10-12-14/h8-13H,6-7H2,1-5H3
InChIKey NTZJAHGNFYXRHQ-UHFFFAOYSA-N
Mol Weight 395.46 g/mol
Molecular Formula C22H25N3O4
Exact Mass 395.184506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gKlzTtQp6
Name diethyl 3-tert-Butyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4,5-dicarboxylate
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N3O4
InChI InChI=1S/C22H25N3O4/c1-6-28-20(26)15-13-23-19-17(16(15)21(27)29-7-2)18(22(3,4)5)24-25(19)14-11-9-8-10-12-14/h8-13H,6-7H2,1-5H3
InChIKey NTZJAHGNFYXRHQ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701761
Molecular Weight 395.459 g/mol
Quality 215
Reported Formula C22H25N3O4
SMILES C1=NC2=C(C(=C1C(=O)OCC)C(OCC)=O)C(=NN2C1=CC=CC=C1)C(C)(C)C
SPLASH splash10-053r-1019000000-abdb78a904a593c4ff72
Source of Spectrum K1-2018-1570-25 (DOI: 10.1002/ejoc.201701761)
Wiley ID 1893988