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2,4,6(1H,3H,5H)-pyrimidinetrione, 1-(4-bromophenyl)-5-[[[2-[(1,1-dimethylethyl)thio]ethyl]amino]methylene]-, (5E)-
SpectraBase Compound ID J2IJmo6RAdD
InChI InChI=1S/C17H20BrN3O3S/c1-17(2,3)25-9-8-19-10-13-14(22)20-16(24)21(15(13)23)12-6-4-11(18)5-7-12/h4-7,10,19H,8-9H2,1-3H3,(H,20,22,24)/b13-10+
InChIKey SCMJJPIFQPUJHZ-JLHYYAGUSA-N
Mol Weight 426.33 g/mol
Molecular Formula C17H20BrN3O3S
Exact Mass 425.040876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IAkVMy25JRd
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 1-(4-bromophenyl)-5-[[[2-[(1,1-dimethylethyl)thio]ethyl]amino]methylene]-, (5E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.040875687 u
Formula C17H20BrN3O3S
InChI InChI=1S/C17H20BrN3O3S/c1-17(2,3)25-9-8-19-10-13-14(22)20-16(24)21(15(13)23)12-6-4-11(18)5-7-12/h4-7,10,19H,8-9H2,1-3H3,(H,20,22,24)/b13-10+
InChIKey SCMJJPIFQPUJHZ-JLHYYAGUSA-N
Molecular Weight 426.329 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5072
Solvent DMSO-d6
Source Vendor ID: NMR/9301052; Lab Info: LP; Lab Number: LP-1701030