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(5E)-1-(3-chloro-4-methylphenyl)-5-({[3-(dimethylamino)propyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID AJvhZUCkJ75
InChI InChI=1S/C17H21ClN4O3/c1-11-5-6-12(9-14(11)18)22-16(24)13(15(23)20-17(22)25)10-19-7-4-8-21(2)3/h5-6,9-10,19H,4,7-8H2,1-3H3,(H,20,23,25)/b13-10+
InChIKey WUIBJXVPMYTZNX-JLHYYAGUSA-N
Mol Weight 364.83 g/mol
Molecular Formula C17H21ClN4O3
Exact Mass 364.130218 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2pmphoHvObl
Name (5E)-1-(3-chloro-4-methylphenyl)-5-({[3-(dimethylamino)propyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C17H21ClN4O3/c1-11-5-6-12(9-14(11)18)22-16(24)13(15(23)20-17(22)25)10-19-7-4-8-21(2)3/h5-6,9-10,19H,4,7-8H2,1-3H3,(H,20,23,25)/b13-10+
InChIKey WUIBJXVPMYTZNX-JLHYYAGUSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10798
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: E03131; Labnumber: KV-2624; SBI_ID: SBI-010801
Synonyms 1-(3-chloro-4-methylphenyl)-5-({[3-(dimethylamino)propyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 308 °C