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2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[3-bromo-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylene]-
SpectraBase Compound ID 33ZWlDZzxbM
InChI InChI=1S/C22H21BrN2O6/c1-3-29-18-12-14(10-16-20(26)24-22(28)25-21(16)27)11-17(23)19(18)31-9-8-30-15-6-4-13(2)5-7-15/h4-7,10-12H,3,8-9H2,1-2H3,(H2,24,25,26,27,28)
InChIKey BUIOUKHGZKLVDN-UHFFFAOYSA-N
Mol Weight 489.32 g/mol
Molecular Formula C22H21BrN2O6
Exact Mass 488.058299 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JKBYyWIqeN2
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[3-bromo-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylene]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.058299398 u
Formula C22H21BrN2O6
InChI InChI=1S/C22H21BrN2O6/c1-3-29-18-12-14(10-16-20(26)24-22(28)25-21(16)27)11-17(23)19(18)31-9-8-30-15-6-4-13(2)5-7-15/h4-7,10-12H,3,8-9H2,1-2H3,(H2,24,25,26,27,28)
InChIKey BUIOUKHGZKLVDN-UHFFFAOYSA-N
Molecular Weight 489.322 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8273
Solvent DMSO-d6
Source Vendor ID: NMR/9264391; Lab Info: CEP; Lab Number: CEP-9060088
Temperature 29.85 °C