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Ethyl-4-(4-chlorophenyl)-1,3-diphenyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylate
SpectraBase Compound ID JxRvU8FsLQv
InChI InChI=1S/C27H20ClN3O2/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 IFQUBFLRRWHFKJ-UHFFFAOYSA-N
Mol Weight 453.93 g/mol
Molecular Formula C27H20ClN3O2
Exact Mass 453.124405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L3cXgaMIxXv
Name Ethyl-4-(4-chlorophenyl)-1,3-diphenyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20ClN3O2
InChI InChI=1S/C27H20ClN3O2/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 IFQUBFLRRWHFKJ-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5RA16769H
Molecular Weight 453.929 g/mol
SMILES c12c(c(cc(n2)C(=O)OCC)-c2ccc(cc2)Cl)c(n[n]1-c1ccccc1)-c1ccccc1
SPLASH splash10-0udi-1001900000-7e5248bc55701df57d60
Source of Spectrum RSA-5-89656-3d
Synonyms Ethyl 4-(4-chlorophenyl)-1,3-diphenyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylate
Wiley ID 1802651