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2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[3-chloro-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylene]-
SpectraBase Compound ID KnluRnJdr1k
InChI InChI=1S/C21H19ClN2O6/c1-12-5-3-4-6-16(12)29-7-8-30-18-15(22)10-13(11-17(18)28-2)9-14-19(25)23-21(27)24-20(14)26/h3-6,9-11H,7-8H2,1-2H3,(H2,23,24,25,26,27)
InChIKey YQHUQEWQYJOPAR-UHFFFAOYSA-N
Mol Weight 430.84 g/mol
Molecular Formula C21H19ClN2O6
Exact Mass 430.093164 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DgkA64a6Zw5
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[3-chloro-5-methoxy-4-[2-(2-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 430.093164034 u
Formula C21H19ClN2O6
InChI InChI=1S/C21H19ClN2O6/c1-12-5-3-4-6-16(12)29-7-8-30-18-15(22)10-13(11-17(18)28-2)9-14-19(25)23-21(27)24-20(14)26/h3-6,9-11H,7-8H2,1-2H3,(H2,23,24,25,26,27)
InChIKey YQHUQEWQYJOPAR-UHFFFAOYSA-N
Molecular Weight 430.844 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8272
Solvent DMSO-d6
Source Vendor ID: NMR/9264387; Lab Info: CEP; Lab Number: CEP-9060083
Temperature 29.85 °C