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1-propanaminium, N-[2-[(1,6-dihydro-4-hydroxy-6-oxo-5-pentyl-2-pyrimidinyl)thio]ethyl]-N-propyl-, chloride
SpectraBase Compound ID JWQJD4BtfBb
InChI InChI=1S/C17H31N3O2S.ClH/c1-4-7-8-9-14-15(21)18-17(19-16(14)22)23-13-12-20(10-5-2)11-6-3;/h4-13H2,1-3H3,(H2,18,19,21,22);1H
InChIKey FJVGDJPKPIAQIX-UHFFFAOYSA-N
Mol Weight 378.0 g/mol
Molecular Formula C17H32ClN3O2S
Exact Mass 377.190376 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E5hrLVRvSlL
Name 1-propanaminium, N-[2-[(1,6-dihydro-4-hydroxy-6-oxo-5-pentyl-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 377.190376154 u
Formula C17H32ClN3O2S
InChI InChI=1S/C17H31N3O2S.ClH/c1-4-7-8-9-14-15(21)18-17(19-16(14)22)23-13-12-20(10-5-2)11-6-3;/h4-13H2,1-3H3,(H2,18,19,21,22);1H
InChIKey FJVGDJPKPIAQIX-UHFFFAOYSA-N
Molecular Weight 377.975 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2248
Solvent DMSO-d6
Source Vendor ID: NMR/13268507