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4(3H)-pyrimidinone, 6-methyl-2-[[(6-nitro-1H-benzimidazol-2-yl)methyl]thio]-
SpectraBase Compound ID WDOJyMRz7y
InChI InChI=1S/C13H11N5O3S/c1-7-4-12(19)17-13(14-7)22-6-11-15-9-3-2-8(18(20)21)5-10(9)16-11/h2-5H,6H2,1H3,(H,15,16)(H,14,17,19)
InChIKey FNJBIOBAMRNKJG-UHFFFAOYSA-N
Mol Weight 317.32 g/mol
Molecular Formula C13H11N5O3S
Exact Mass 317.05826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DRHu2hotWpG
Name 4(3H)-pyrimidinone, 6-methyl-2-[[(6-nitro-1H-benzimidazol-2-yl)methyl]thio]-
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/C13H11N5O3S/c1-7-4-12(19)17-13(14-7)22-6-11-15-9-3-2-8(18(20)21)5-10(9)16-11/h2-5H,6H2,1H3,(H,15,16)(H,14,17,19)
InChIKey FNJBIOBAMRNKJG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_4667
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: NMR/11318810