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ethyl {2-bromo-4-[(E)-(1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetate
SpectraBase Compound ID G0kQxkgz1aB
InChI InChI=1S/C23H21BrN2O5S/c1-3-14-5-8-16(9-6-14)26-22(29)17(21(28)25-23(26)32)11-15-7-10-19(18(24)12-15)31-13-20(27)30-4-2/h5-12H,3-4,13H2,1-2H3,(H,25,28,32)/b17-11+
InChIKey PTDZIQRXTMGTDL-GZTJUZNOSA-N
Mol Weight 517.39 g/mol
Molecular Formula C23H21BrN2O5S
Exact Mass 516.035456 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6H3ggIyO9Li
Name ethyl {2-bromo-4-[(E)-(1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.035455953 u
Formula C23H21BrN2O5S
InChI InChI=1S/C23H21BrN2O5S/c1-3-14-5-8-16(9-6-14)26-22(29)17(21(28)25-23(26)32)11-15-7-10-19(18(24)12-15)31-13-20(27)30-4-2/h5-12H,3-4,13H2,1-2H3,(H,25,28,32)/b17-11+
InChIKey PTDZIQRXTMGTDL-GZTJUZNOSA-N
Molecular Weight 517.394 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5347
Solvent DMSO-d6
Source Vendor ID: NMR/12318760