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ethanaminium, 2-[(5-butyl-1,6-dihydro-4-hydroxy-6-oxo-1-phenyl-2-pyrimidinyl)thio]-N,N-diethyl-, chloride
SpectraBase Compound ID 2doJMqiUzp5
InChI InChI=1S/C20H29N3O2S.ClH/c1-4-7-13-17-18(24)21-20(26-15-14-22(5-2)6-3)23(19(17)25)16-11-9-8-10-12-16;/h8-12,24H,4-7,13-15H2,1-3H3;1H
InChIKey TYNPSIUKMSHJRU-UHFFFAOYSA-N
Mol Weight 411.99 g/mol
Molecular Formula C20H30ClN3O2S
Exact Mass 411.174726 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LKssh9o24yY
Name ethanaminium, 2-[(5-butyl-1,6-dihydro-4-hydroxy-6-oxo-1-phenyl-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 411.174726090 u
Formula C20H30ClN3O2S
InChI InChI=1S/C20H29N3O2S.ClH/c1-4-7-13-17-18(24)21-20(26-15-14-22(5-2)6-3)23(19(17)25)16-11-9-8-10-12-16;/h8-12,24H,4-7,13-15H2,1-3H3;1H
InChIKey TYNPSIUKMSHJRU-UHFFFAOYSA-N
Molecular Weight 411.992 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2247
Solvent DMSO-d6
Source Vendor ID: NMR/13268506