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ethanaminium, 2-[(1,6-dihydro-4-hydroxy-6-oxo-1,5-diphenyl-2-pyrimidinyl)thio]-N,N-dimethyl-, chloride
SpectraBase Compound ID E3w8IS4PPIV
InChI InChI=1S/C20H21N3O2S.ClH/c1-22(2)13-14-26-20-21-18(24)17(15-9-5-3-6-10-15)19(25)23(20)16-11-7-4-8-12-16;/h3-12,24H,13-14H2,1-2H3;1H
InChIKey SBAQWTOALWXZML-UHFFFAOYSA-N
Mol Weight 403.93 g/mol
Molecular Formula C20H22ClN3O2S
Exact Mass 403.112126 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BQbdsc9gdXT
Name ethanaminium, 2-[(1,6-dihydro-4-hydroxy-6-oxo-1,5-diphenyl-2-pyrimidinyl)thio]-N,N-dimethyl-, chloride
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/C20H21N3O2S.ClH/c1-22(2)13-14-26-20-21-18(24)17(15-9-5-3-6-10-15)19(25)23(20)16-11-7-4-8-12-16;/h3-12,24H,13-14H2,1-2H3;1H
InChIKey SBAQWTOALWXZML-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_8126
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/11218162