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2,4,6(1H,3H,5H)-pyrimidinetrione, 1-(4-methylphenyl)-5-[(5-nitro-2-furanyl)methylene]-, (5E)-
SpectraBase Compound ID L10KgemtFLx
InChI InChI=1S/C16H11N3O6/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 DENKAGNNYVMEJL-XYOKQWHBSA-N
Mol Weight 341.28 g/mol
Molecular Formula C16H11N3O6
Exact Mass 341.064785 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FqZ69AjFxV
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 1-(4-methylphenyl)-5-[(5-nitro-2-furanyl)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 341.064785080 u
Formula C16H11N3O6
InChI InChI=1S/C16H11N3O6/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 DENKAGNNYVMEJL-XYOKQWHBSA-N
Molecular Weight 341.279 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6414
Solvent DMSO-d6
Source Vendor ID: NMR/9253525; Lab Info: LP; Lab Number: LP-0020427