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3-pyridinecarboxamide, N-[1-ethyl-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-1H-benzimidazol-5-yl]-
SpectraBase Compound ID 6ZhRLD5naEC
InChI InChI=1S/C21H20N6OS/c1-3-27-18-7-6-16(25-20(28)15-5-4-9-22-12-15)11-17(18)26-19(27)13-29-21-23-10-8-14(2)24-21/h4-12H,3,13H2,1-2H3,(H,25,28)
InChIKey YFIHKTNNBQECFC-UHFFFAOYSA-N
Mol Weight 404.49 g/mol
Molecular Formula C21H20N6OS
Exact Mass 404.14193 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GrrvDBpnBvH
Name 3-pyridinecarboxamide, N-[1-ethyl-2-[[(4-methyl-2-pyrimidinyl)thio]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/C21H20N6OS/c1-3-27-18-7-6-16(25-20(28)15-5-4-9-22-12-15)11-17(18)26-19(27)13-29-21-23-10-8-14(2)24-21/h4-12H,3,13H2,1-2H3,(H,25,28)
InChIKey YFIHKTNNBQECFC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_2482
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: F14995; Labnumber: ZUB-S1930-0310