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Ethyl-4-(4-bromophenyl)-1,3-diphenyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylate
SpectraBase Compound ID AoxQIO6aS2k
InChI InChI=1S/C27H20BrN3O2/c1-2-33-27(32)23-17-22(18-13-15-20(28)16-14-18)24-25(19-9-5-3-6-10-19)30-31(26(24)29-23)21-11-7-4-8-12-21/h3-17H,2H2,1H3
InChIKey VNTQVUKIWAFHRY-UHFFFAOYSA-N
Mol Weight 498.38 g/mol
Molecular Formula C27H20BrN3O2
Exact Mass 497.07389 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mI21dYFAX4
Name Ethyl-4-(4-bromophenyl)-1,3-diphenyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20BrN3O2
InChI InChI=1S/C27H20BrN3O2/c1-2-33-27(32)23-17-22(18-13-15-20(28)16-14-18)24-25(19-9-5-3-6-10-19)30-31(26(24)29-23)21-11-7-4-8-12-21/h3-17H,2H2,1H3
InChIKey VNTQVUKIWAFHRY-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5RA16769H
Molecular Weight 498.380 g/mol
SMILES c12c(c(cc(n2)C(=O)OCC)-c2ccc(cc2)Br)c(n[n]1-c1ccccc1)-c1ccccc1
SPLASH splash10-0002-1000910000-8a2164ec7005d8657ede
Source of Spectrum RSA-5-89655-3c
Synonyms Ethyl 4-(4-bromophenyl)-1,3-diphenyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylate
Wiley ID 1802650