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cyclohexanecarboxamide, N-[1-ethyl-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-1H-benzimidazol-5-yl]-
SpectraBase Compound ID 3tjcCOKzyxd
InChI InChI=1S/C22H27N5OS/c1-3-27-19-10-9-17(25-21(28)16-7-5-4-6-8-16)13-18(19)26-20(27)14-29-22-23-12-11-15(2)24-22/h9-13,16H,3-8,14H2,1-2H3,(H,25,28)
InChIKey KEYQHYJGNPAOEI-UHFFFAOYSA-N
Mol Weight 409.55 g/mol
Molecular Formula C22H27N5OS
Exact Mass 409.193632 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BffVbGxxNJR
Name cyclohexanecarboxamide, 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/C22H27N5OS/c1-3-27-19-10-9-17(25-21(28)16-7-5-4-6-8-16)13-18(19)26-20(27)14-29-22-23-12-11-15(2)24-22/h9-13,16H,3-8,14H2,1-2H3,(H,25,28)
InChIKey KEYQHYJGNPAOEI-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_2475
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: F14988; Labnumber: ZUB-S1930-0284