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4-{[4-(3-bromobenzyl)-1-piperazinyl]carbonyl}-1-butyl-6-cyclopropyl-3-methyl-1H-pyrazolo[3,4-b]pyridine
SpectraBase Compound ID 5B2qTbK2kUP
InChI InChI=1S/C26H32BrN5O/c1-3-4-10-32-25-24(18(2)29-32)22(16-23(28-25)20-8-9-20)26(33)31-13-11-30(12-14-31)17-19-6-5-7-21(27)15-19/h5-7,15-16,20H,3-4,8-14,17H2,1-2H3
InChIKey BYWHBMFQVPWTEX-UHFFFAOYSA-N
Mol Weight 510.5 g/mol
Molecular Formula C26H32BrN5O
Exact Mass 509.179024 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DMUDn3cGAhU
Name 4-{[4-(3-bromobenzyl)-1-piperazinyl]carbonyl}-1-butyl-6-cyclopropyl-3-methyl-1H-pyrazolo[3,4-b]pyridine
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/C26H32BrN5O/c1-3-4-10-32-25-24(18(2)29-32)22(16-23(28-25)20-8-9-20)26(33)31-13-11-30(12-14-31)17-19-6-5-7-21(27)15-19/h5-7,15-16,20H,3-4,8-14,17H2,1-2H3
InChIKey BYWHBMFQVPWTEX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33077
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: 1912004; SBI_ID: SBI-033081
Temperature 308 °C