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ethanaminium, N,N-diethyl-2-[(5-hexyl-1,6-dihydro-4-hydroxy-6-oxo-1-phenyl-2-pyrimidinyl)thio]-, chloride
SpectraBase Compound ID 91PaNRDi0ZO
InChI InChI=1S/C22H33N3O2S.ClH/c1-4-7-8-12-15-19-20(26)23-22(28-17-16-24(5-2)6-3)25(21(19)27)18-13-10-9-11-14-18;/h9-11,13-14,26H,4-8,12,15-17H2,1-3H3;1H
InChIKey AHLLWWBAECDKTJ-UHFFFAOYSA-N
Mol Weight 440.0 g/mol
Molecular Formula C22H34ClN3O2S
Exact Mass 439.206026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GlL8iQp4Dgy
Name ethanaminium, N,N-diethyl-2-[(5-hexyl-1,6-dihydro-4-hydroxy-6-oxo-1-phenyl-2-pyrimidinyl)thio]-, 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/C22H33N3O2S.ClH/c1-4-7-8-12-15-19-20(26)23-22(28-17-16-24(5-2)6-3)25(21(19)27)18-13-10-9-11-14-18;/h9-11,13-14,26H,4-8,12,15-17H2,1-3H3;1H
InChIKey AHLLWWBAECDKTJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_8118
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/11218153