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1,4-benzodioxin-2-carboxamide, 2,3-dihydro-N-[1-methyl-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-1H-benzimidazol-5-yl]-
SpectraBase Compound ID Af7AYSwvSrF
InChI InChI=1S/C23H21N5O3S/c1-14-9-10-24-23(25-14)32-13-21-27-16-11-15(7-8-17(16)28(21)2)26-22(29)20-12-30-18-5-3-4-6-19(18)31-20/h3-11,20H,12-13H2,1-2H3,(H,26,29)
InChIKey MDXKIIJMSXKUSE-UHFFFAOYSA-N
Mol Weight 447.51 g/mol
Molecular Formula C23H21N5O3S
Exact Mass 447.136511 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8TVgJGINy6R
Name 1,4-benzodioxin-2-carboxamide, 2,3-dihydro-N-[1-methyl-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/C23H21N5O3S/c1-14-9-10-24-23(25-14)32-13-21-27-16-11-15(7-8-17(16)28(21)2)26-22(29)20-12-30-18-5-3-4-6-19(18)31-20/h3-11,20H,12-13H2,1-2H3,(H,26,29)
InChIKey MDXKIIJMSXKUSE-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_4377
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: F20545; Labnumber: ZUB-S1930-0255