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2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[(4-hydroxy-3-methoxyphenyl)methylene]-1-[3-(trifluoromethyl)phenyl]-, (5E)-
SpectraBase Compound ID 8XlGG63vo0k
InChI InChI=1S/C19H13F3N2O5/c1-29-15-8-10(5-6-14(15)25)7-13-16(26)23-18(28)24(17(13)27)12-4-2-3-11(9-12)19(20,21)22/h2-9,25H,1H3,(H,23,26,28)/b13-7+
InChIKey XTSMIRDFHTUJBW-NTUHNPAUSA-N
Mol Weight 406.32 g/mol
Molecular Formula C19H13F3N2O5
Exact Mass 406.077656 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6ymaNzTnZOA
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[(4-hydroxy-3-methoxyphenyl)methylene]-1-[3-(trifluoromethyl)phenyl]-, (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 406.077656011 u
Formula C19H13F3N2O5
InChI InChI=1S/C19H13F3N2O5/c1-29-15-8-10(5-6-14(15)25)7-13-16(26)23-18(28)24(17(13)27)12-4-2-3-11(9-12)19(20,21)22/h2-9,25H,1H3,(H,23,26,28)/b13-7+
InChIKey XTSMIRDFHTUJBW-NTUHNPAUSA-N
Molecular Weight 406.317 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5856
Solvent DMSO-d6
Source Vendor ID: NMR/9223976; Lab Info: LP; Lab Number: LP-0010944