ethanaminium, 2-[(1,6-dihydro-4-hydroxy-6-oxo-1,5-diphenyl-2-pyrimidinyl)thio]-N,N-diethyl-, chloride

SpectraBase Compound ID	J16jvdXODJF
InChI	InChI=1S/C22H25N3O2S.ClH/c1-3-24(4-2)15-16-28-22-23-20(26)19(17-11-7-5-8-12-17)21(27)25(22)18-13-9-6-10-14-18;/h5-14,26H,3-4,15-16H2,1-2H3;1H
InChIKey	VQGHQLICUPBJGG-UHFFFAOYSA-N Google Search
Mol Weight	431.98 g/mol
Molecular Formula	C22H26ClN3O2S
Exact Mass	431.143426 g/mol

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SpectraBase Spectrum ID	30MD0Jqfmoe
Name	ethanaminium, 2-[(1,6-dihydro-4-hydroxy-6-oxo-1,5-diphenyl-2-pyrimidinyl)thio]-N,N-diethyl-, chloride
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	431.143425961 u
Formula	C22H26ClN3O2S
InChI	InChI=1S/C22H25N3O2S.ClH/c1-3-24(4-2)15-16-28-22-23-20(26)19(17-11-7-5-8-12-17)21(27)25(22)18-13-9-6-10-14-18;/h5-14,26H,3-4,15-16H2,1-2H3;1H
InChIKey	VQGHQLICUPBJGG-UHFFFAOYSA-N
Molecular Weight	431.982 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_12816
Solvent	DMSO-d6
Source	Vendor ID: ZI/10022528; Lab Info: PLU; Lab Number: FCI-427-0039