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1,4-benzodioxin-2-carboxamide, N-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-ethyl-1H-benzimidazol-5-yl]-2,3-dihydro-

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1,4-benzodioxin-2-carboxamide, N-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-ethyl-1H-benzimidazol-5-yl]-2,3-dihydro-
SpectraBase Compound ID EKp4T2emKUi
InChI InChI=1S/C25H25N5O3S/c1-4-30-19-10-9-17(28-24(31)22-13-32-20-7-5-6-8-21(20)33-22)12-18(19)29-23(30)14-34-25-26-15(2)11-16(3)27-25/h5-12,22H,4,13-14H2,1-3H3,(H,28,31)
InChIKey HKUAIHSBBBZHGZ-UHFFFAOYSA-N
Mol Weight 475.57 g/mol
Molecular Formula C25H25N5O3S
Exact Mass 475.167811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8n09nM34EHk
Name 1,4-benzodioxin-2-carboxamide, N-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-ethyl-1H-benzimidazol-5-yl]-2,3-dihydro-
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/C25H25N5O3S/c1-4-30-19-10-9-17(28-24(31)22-13-32-20-7-5-6-8-21(20)33-22)12-18(19)29-23(30)14-34-25-26-15(2)11-16(3)27-25/h5-12,22H,4,13-14H2,1-3H3,(H,28,31)
InChIKey HKUAIHSBBBZHGZ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_4371
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: F20537; Labnumber: ZUB-S1930-0166