morpholinium, 4-[2-[(5-hexyl-1,6-dihydro-4-hydroxy-6-oxo-1-phenyl-2-pyrimidinyl)thio]ethyl]-, chloride

SpectraBase Compound ID	KQaSL2nhHnw
InChI	InChI=1S/C22H31N3O3S.ClH/c1-2-3-4-8-11-19-20(26)23-22(29-17-14-24-12-15-28-16-13-24)25(21(19)27)18-9-6-5-7-10-18;/h5-7,9-10,26H,2-4,8,11-17H2,1H3;1H
InChIKey	PYZNTSVVHVCZDZ-UHFFFAOYSA-N Google Search
Mol Weight	454.0 g/mol
Molecular Formula	C22H32ClN3O3S
Exact Mass	453.185291 g/mol

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SpectraBase Spectrum ID	JT0wBbCQ6cr
Name	morpholinium, 4-[2-[(5-hexyl-1,6-dihydro-4-hydroxy-6-oxo-1-phenyl-2-pyrimidinyl)thio]ethyl]-, 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	453.185290773 u
Formula	C22H32ClN3O3S
InChI	InChI=1S/C22H31N3O3S.ClH/c1-2-3-4-8-11-19-20(26)23-22(29-17-14-24-12-15-28-16-13-24)25(21(19)27)18-9-6-5-7-10-18;/h5-7,9-10,26H,2-4,8,11-17H2,1H3;1H
InChIKey	PYZNTSVVHVCZDZ-UHFFFAOYSA-N
Molecular Weight	454.029 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_12822
Solvent	DMSO-d6
Source	Vendor ID: ZI/10023534; Lab Info: PLU; Lab Number: FCI-427-0004