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5-[(5-bromo-2-thienyl)methyl]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID KtwW86CCp51
InChI InChI=1S/C11H11BrN2O3S/c1-13-9(15)7(10(16)14(2)11(13)17)5-6-3-4-8(12)18-6/h3-4,7H,5H2,1-2H3
InChIKey XVJCMHKVGLBKEJ-UHFFFAOYSA-N
Mol Weight 331.18 g/mol
Molecular Formula C11H11BrN2O3S
Exact Mass 329.967376 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LkcbeKytTdJ
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[(5-bromo-2-thienyl)methyl]-1,3-dimethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.967376393 u
Formula C11H11BrN2O3S
InChI InChI=1S/C11H11BrN2O3S/c1-13-9(15)7(10(16)14(2)11(13)17)5-6-3-4-8(12)18-6/h3-4,7H,5H2,1-2H3
InChIKey XVJCMHKVGLBKEJ-UHFFFAOYSA-N
Molecular Weight 331.184 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15150
Solvent DMSO-d6
Source Vendor ID: NMR/10321867; Lab Info: LP; Lab Number: LP-1709088