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(5E)-1-(4-Methylphenyl)-5-[(5-nitro-2-thienyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 1q0ILrhTrAT
InChI InChI=1S/C16H11N3O5S/c1-9-2-4-10(5-3-9)18-15(21)12(14(20)17-16(18)22)8-11-6-7-13(25-11)19(23)24/h2-8H,1H3,(H,17,20,22)/b12-8+
InChIKey KNKZYXQKHRQLIK-XYOKQWHBSA-N
Mol Weight 357.34 g/mol
Molecular Formula C16H11N3O5S
Exact Mass 357.041942 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5xUH40PA6gR
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 1-(4-methylphenyl)-5-[(5-nitro-2-thienyl)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 357.041941635 u
Formula C16H11N3O5S
InChI InChI=1S/C16H11N3O5S/c1-9-2-4-10(5-3-9)18-15(21)12(14(20)17-16(18)22)8-11-6-7-13(25-11)19(23)24/h2-8H,1H3,(H,17,20,22)/b12-8+
InChIKey KNKZYXQKHRQLIK-XYOKQWHBSA-N
Molecular Weight 357.340 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6417
Solvent DMSO-d6
Source Vendor ID: NMR/9301122; Lab Info: LP; Lab Number: LP-1701104