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1-propanaminium, N-[2-[[1,6-dihydro-4-hydroxy-5-(1-methylethyl)-6-oxo-1-phenyl-2-pyrimidinyl]thio]ethyl]-N-propyl-, chloride

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1-propanaminium, N-[2-[[1,6-dihydro-4-hydroxy-5-(1-methylethyl)-6-oxo-1-phenyl-2-pyrimidinyl]thio]ethyl]-N-propyl-, chloride
SpectraBase Compound ID D9AjpFlpD0Q
InChI InChI=1S/C21H31N3O2S.ClH/c1-5-12-23(13-6-2)14-15-27-21-22-19(25)18(16(3)4)20(26)24(21)17-10-8-7-9-11-17;/h7-11,16,25H,5-6,12-15H2,1-4H3;1H
InChIKey NLQIQISIQORZSS-UHFFFAOYSA-N
Mol Weight 426.0 g/mol
Molecular Formula C21H32ClN3O2S
Exact Mass 425.190376 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KW806gkAJ5S
Name 1-propanaminium, N-[2-[[1,6-dihydro-4-hydroxy-5-(1-methylethyl)-6-oxo-1-phenyl-2-pyrimidinyl]thio]ethyl]-N-propyl-, 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 425.190376154 u
Formula C21H32ClN3O2S
InChI InChI=1S/C21H31N3O2S.ClH/c1-5-12-23(13-6-2)14-15-27-21-22-19(25)18(16(3)4)20(26)24(21)17-10-8-7-9-11-17;/h7-11,16,25H,5-6,12-15H2,1-4H3;1H
InChIKey NLQIQISIQORZSS-UHFFFAOYSA-N
Molecular Weight 426.019 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12826
Solvent DMSO-d6
Source Vendor ID: ZI/10024648; Lab Info: PLU; Lab Number: FCI-427-0014