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6-[2-(4-bromophenyl)-2-oxoethoxy]-3-methyl-1-phenyl-4-(3-pyridinyl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SpectraBase Compound ID UnfERVJgta
InChI InChI=1S/C27H18BrN5O2/c1-17-24-25(19-6-5-13-30-15-19)22(14-29)27(35-16-23(34)18-9-11-20(28)12-10-18)31-26(24)33(32-17)21-7-3-2-4-8-21/h2-13,15H,16H2,1H3
InChIKey MKHOOGZNSOFHBR-UHFFFAOYSA-N
Mol Weight 524.38 g/mol
Molecular Formula C27H18BrN5O2
Exact Mass 523.064388 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8nYdFEqwFcg
Name 6-[2-(4-bromophenyl)-2-oxoethoxy]-3-methyl-1-phenyl-4-(3-pyridinyl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H18BrN5O2/c1-17-24-25(19-6-5-13-30-15-19)22(14-29)27(35-16-23(34)18-9-11-20(28)12-10-18)31-26(24)33(32-17)21-7-3-2-4-8-21/h2-13,15H,16H2,1H3
InChIKey MKHOOGZNSOFHBR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14044
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: MAY-13/0128; UBI_ID: UBI-014047
Temperature 318 °C