For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-pyridinecarboxamide, 5-bromo-N-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-ethyl-1H-benzimidazol-5-yl]-
SpectraBase Compound ID ELl7nkTdxeu
InChI InChI=1S/C22H21BrN6OS/c1-4-29-19-6-5-17(27-21(30)15-8-16(23)11-24-10-15)9-18(19)28-20(29)12-31-22-25-13(2)7-14(3)26-22/h5-11H,4,12H2,1-3H3,(H,27,30)
InChIKey STMKJBPKCOUCQG-UHFFFAOYSA-N
Mol Weight 497.42 g/mol
Molecular Formula C22H21BrN6OS
Exact Mass 496.068093 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Jz4A0eEwjmU
Name 3-pyridinecarboxamide, 5-bromo-N-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-ethyl-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/C22H21BrN6OS/c1-4-29-19-6-5-17(27-21(30)15-8-16(23)11-24-10-15)9-18(19)28-20(29)12-31-22-25-13(2)7-14(3)26-22/h5-11H,4,12H2,1-3H3,(H,27,30)
InChIKey STMKJBPKCOUCQG-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_4372
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: F20538; Labnumber: ZUB-S1930-0167