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3-pyridinecarboxamide, N-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-ethyl-1H-benzimidazol-5-yl]-
SpectraBase Compound ID 4C3dCgyurb8
InChI InChI=1S/C22H22N6OS/c1-4-28-19-8-7-17(26-21(29)16-6-5-9-23-12-16)11-18(19)27-20(28)13-30-22-24-14(2)10-15(3)25-22/h5-12H,4,13H2,1-3H3,(H,26,29)
InChIKey PEJGJRRZSONTKH-UHFFFAOYSA-N
Mol Weight 418.52 g/mol
Molecular Formula C22H22N6OS
Exact Mass 418.157581 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BCExc3asYVd
Name 3-pyridinecarboxamide, 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/C22H22N6OS/c1-4-28-19-8-7-17(26-21(29)16-6-5-9-23-12-16)11-18(19)27-20(28)13-30-22-24-14(2)10-15(3)25-22/h5-12H,4,13H2,1-3H3,(H,26,29)
InChIKey PEJGJRRZSONTKH-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_2454
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: F14961; Labnumber: ZUB-S1930-0134