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2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[5-hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]methylene]-
SpectraBase Compound ID IYrAjFSJh8j
InChI InChI=1S/C16H14N4O4/c1-8-3-5-10(6-4-8)20-15(23)11(9(2)19-20)7-12-13(21)17-16(24)18-14(12)22/h3-7,23H,1-2H3,(H2,17,18,21,22,24)
InChIKey AGXSETRVVSBSKJ-UHFFFAOYSA-N
Mol Weight 326.31 g/mol
Molecular Formula C16H14N4O4
Exact Mass 326.101505 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FTKDVnPvhum
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[5-hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]methylene]-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H14N4O4/c1-8-3-5-10(6-4-8)20-15(23)11(9(2)19-20)7-12-13(21)17-16(24)18-14(12)22/h3-7,23H,1-2H3,(H2,17,18,21,22,24)
InChIKey AGXSETRVVSBSKJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_1579
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: AG-205/5057684; Labnumber: MAR-835; IOH_ID: IOH-008582