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

SpectraBase Compound ID	DhSCX8rcOQ2
InChI	InChI=1S/C21H29N3O3S.ClH/c1-2-3-5-10-18-19(25)22-21(28-16-13-23-11-14-27-15-12-23)24(20(18)26)17-8-6-4-7-9-17;/h4,6-9,25H,2-3,5,10-16H2,1H3;1H
InChIKey	FWLWDIDXSRMYJT-UHFFFAOYSA-N Google Search
Mol Weight	440.0 g/mol
Molecular Formula	C21H30ClN3O3S
Exact Mass	439.169641 g/mol

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SpectraBase Spectrum ID	2jEBS4cAY4G
Name	morpholinium, 4-[2-[(1,6-dihydro-4-hydroxy-6-oxo-5-pentyl-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	439.169640709 u
Formula	C21H30ClN3O3S
InChI	InChI=1S/C21H29N3O3S.ClH/c1-2-3-5-10-18-19(25)22-21(28-16-13-23-11-14-27-15-12-23)24(20(18)26)17-8-6-4-7-9-17;/h4,6-9,25H,2-3,5,10-16H2,1H3;1H
InChIKey	FWLWDIDXSRMYJT-UHFFFAOYSA-N
Molecular Weight	440.002 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_12820
Solvent	DMSO-d6
Source	Vendor ID: ZI/10023474; Lab Info: PLU; Lab Number: FCI-427-0003