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3-pyridinecarboxamide, 5-bromo-N-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-methyl-1H-benzimidazol-5-yl]-
SpectraBase Compound ID MDxst7zh51
InChI InChI=1S/C21H19BrN6OS/c1-12-6-13(2)25-21(24-12)30-11-19-27-17-8-16(4-5-18(17)28(19)3)26-20(29)14-7-15(22)10-23-9-14/h4-10H,11H2,1-3H3,(H,26,29)
InChIKey WTKNJAZWSHNCEB-UHFFFAOYSA-N
Mol Weight 483.39 g/mol
Molecular Formula C21H19BrN6OS
Exact Mass 482.052443 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5S5hezODWp2
Name 3-pyridinecarboxamide, 5-bromo-N-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-methyl-1H-benzimidazol-5-yl]-
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/C21H19BrN6OS/c1-12-6-13(2)25-21(24-12)30-11-19-27-17-8-16(4-5-18(17)28(19)3)26-20(29)14-7-15(22)10-23-9-14/h4-10H,11H2,1-3H3,(H,26,29)
InChIKey WTKNJAZWSHNCEB-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_4369
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: F20535; Labnumber: ZUB-S1930-0078