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(5Z)-5-[(4-bromoanilino)methylene]-1-(3-chlorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID LBn4QkvCm5G
InChI InChI=1S/C17H11BrClN3O3/c18-10-4-6-12(7-5-10)20-9-14-15(23)21-17(25)22(16(14)24)13-3-1-2-11(19)8-13/h1-9,20H,(H,21,23,25)/b14-9-
InChIKey LRFJLOBRHNNIPH-ZROIWOOFSA-N
Mol Weight 420.65 g/mol
Molecular Formula C17H11BrClN3O3
Exact Mass 418.967232 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JekghI3tS97
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[(4-bromophenyl)amino]methylene]-1-(3-chlorophenyl)-, (5Z)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.967231923 u
Formula C17H11BrClN3O3
InChI InChI=1S/C17H11BrClN3O3/c18-10-4-6-12(7-5-10)20-9-14-15(23)21-17(25)22(16(14)24)13-3-1-2-11(19)8-13/h1-9,20H,(H,21,23,25)/b14-9-
InChIKey LRFJLOBRHNNIPH-ZROIWOOFSA-N
Molecular Weight 420.650 g/mol
NMR Offset 16.2999
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2845
Solvent DMSO-d6
Source Vendor ID: NMR/9248389; Lab Info: *0833459*; Lab Number: *0833459*
Temperature 29.85 °C