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methyl {4-[(E)-(1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetate
SpectraBase Compound ID 5GXGuoYW1OC
InChI InChI=1S/C20H15BrN2O5S/c1-27-17(24)11-28-15-8-2-12(3-9-15)10-16-18(25)22-20(29)23(19(16)26)14-6-4-13(21)5-7-14/h2-10H,11H2,1H3,(H,22,25,29)/b16-10+
InChIKey BRPACPJMUUNKFG-MHWRWJLKSA-N
Mol Weight 475.31 g/mol
Molecular Formula C20H15BrN2O5S
Exact Mass 473.988506 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AV6umk0ql4p
Name methyl {4-[(E)-(1-(4-bromophenyl)-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 473.988505760 u
Formula C20H15BrN2O5S
InChI InChI=1S/C20H15BrN2O5S/c1-27-17(24)11-28-15-8-2-12(3-9-15)10-16-18(25)22-20(29)23(19(16)26)14-6-4-13(21)5-7-14/h2-10H,11H2,1H3,(H,22,25,29)/b16-10+
InChIKey BRPACPJMUUNKFG-MHWRWJLKSA-N
Molecular Weight 475.313 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5338
Solvent DMSO-d6
Source Vendor ID: NMR/12318740