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ethanaminium, N,N-diethyl-2-[(5-heptyl-1,6-dihydro-4-hydroxy-6-oxo-1-phenyl-2-pyrimidinyl)thio]-, chloride
SpectraBase Compound ID 9YCfp0yiqBU
InChI InChI=1S/C23H35N3O2S.ClH/c1-4-7-8-9-13-16-20-21(27)24-23(29-18-17-25(5-2)6-3)26(22(20)28)19-14-11-10-12-15-19;/h10-12,14-15,27H,4-9,13,16-18H2,1-3H3;1H
InChIKey LAIFGRTUKDAKMR-UHFFFAOYSA-N
Mol Weight 454.1 g/mol
Molecular Formula C23H36ClN3O2S
Exact Mass 453.221676 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FIfnzaLjUvw
Name ethanaminium, N,N-diethyl-2-[(5-heptyl-1,6-dihydro-4-hydroxy-6-oxo-1-phenyl-2-pyrimidinyl)thio]-, chloride
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H35N3O2S.ClH/c1-4-7-8-9-13-16-20-21(27)24-23(29-18-17-25(5-2)6-3)26(22(20)28)19-14-11-10-12-15-19;/h10-12,14-15,27H,4-9,13,16-18H2,1-3H3;1H
InChIKey LAIFGRTUKDAKMR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_8119
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11218154