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ethanaminium, 2-[(1,6-dihydro-4-hydroxy-6-oxo-5-phenyl-2-pyrimidinyl)thio]-N,N-diethyl-, chloride
SpectraBase Compound ID LpsoJQVbU5s
InChI InChI=1S/C16H21N3O2S.ClH/c1-3-19(4-2)10-11-22-16-17-14(20)13(15(21)18-16)12-8-6-5-7-9-12;/h5-9H,3-4,10-11H2,1-2H3,(H2,17,18,20,21);1H
InChIKey JEXQKDKFIXVSOV-UHFFFAOYSA-N
Mol Weight 355.88 g/mol
Molecular Formula C16H22ClN3O2S
Exact Mass 355.112126 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jfx9Y8x1LtN
Name ethanaminium, 2-[(1,6-dihydro-4-hydroxy-6-oxo-5-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 355.112125832 u
Formula C16H22ClN3O2S
InChI InChI=1S/C16H21N3O2S.ClH/c1-3-19(4-2)10-11-22-16-17-14(20)13(15(21)18-16)12-8-6-5-7-9-12;/h5-9H,3-4,10-11H2,1-2H3,(H2,17,18,20,21);1H
InChIKey JEXQKDKFIXVSOV-UHFFFAOYSA-N
Molecular Weight 355.884 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2246
Solvent DMSO-d6
Source Vendor ID: NMR/13268505