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methyl 2-({[4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]carbonyl}amino)benzoate
SpectraBase Compound ID 9md6RH9ezje
InChI InChI=1S/C22H22BrN3O5S/c1-4-31-16-10-12(9-14(23)19(16)27)18-17(11(2)24-22(32)26-18)20(28)25-15-8-6-5-7-13(15)21(29)30-3/h5-10,18,27H,4H2,1-3H3,(H,25,28)(H2,24,26,32)
InChIKey WVNIHAYQBKJWJS-UHFFFAOYSA-N
Mol Weight 520.4 g/mol
Molecular Formula C22H22BrN3O5S
Exact Mass 519.046355 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2QgcJcdkaG1
Name methyl 2-({[4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]carbonyl}amino)benzoate
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/C22H22BrN3O5S/c1-4-31-16-10-12(9-14(23)19(16)27)18-17(11(2)24-22(32)26-18)20(28)25-15-8-6-5-7-13(15)21(29)30-3/h5-10,18,27H,4H2,1-3H3,(H,25,28)(H2,24,26,32)
InChIKey WVNIHAYQBKJWJS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31024
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: 1728255; SBI_ID: SBI-031028
Temperature 318 °C