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5-{3-bromo-4-[(3-nitrobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID JmeKaQq2M31
InChI InChI=1S/C20H16BrN3O5S/c1-22-18(25)15(19(26)23(2)20(22)30)9-12-6-7-17(16(21)10-12)29-11-13-4-3-5-14(8-13)24(27)28/h3-10H,11H2,1-2H3
InChIKey BPOWBOMQQBIXCM-UHFFFAOYSA-N
Mol Weight 490.33 g/mol
Molecular Formula C20H16BrN3O5S
Exact Mass 488.999405 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8dnLUEc1nm7
Name 5-{3-bromo-4-[(3-nitrobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C20H16BrN3O5S/c1-22-18(25)15(19(26)23(2)20(22)30)9-12-6-7-17(16(21)10-12)29-11-13-4-3-5-14(8-13)24(27)28/h3-10H,11H2,1-2H3
InChIKey BPOWBOMQQBIXCM-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8332
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: 9686059; UBI_ID: UBI-008335
Temperature 308 °C