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(5E)-5-[4-(allyloxy)-3-ethoxybenzylidene]-1-(4-bromophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID KgKuDtOQYn8
InChI InChI=1S/C22H19BrN2O4S/c1-3-11-29-18-10-5-14(13-19(18)28-4-2)12-17-20(26)24-22(30)25(21(17)27)16-8-6-15(23)7-9-16/h3,5-10,12-13H,1,4,11H2,2H3,(H,24,26,30)/b17-12+
InChIKey RXAGSQRQGUYOFT-SFQUDFHCSA-N
Mol Weight 487.37 g/mol
Molecular Formula C22H19BrN2O4S
Exact Mass 486.024891 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K99mGkZhnoO
Name (5E)-5-[4-(allyloxy)-3-ethoxybenzylidene]-1-(4-bromophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.024891270 u
Formula C22H19BrN2O4S
InChI InChI=1S/C22H19BrN2O4S/c1-3-11-29-18-10-5-14(13-19(18)28-4-2)12-17-20(26)24-22(30)25(21(17)27)16-8-6-15(23)7-9-16/h3,5-10,12-13H,1,4,11H2,2H3,(H,24,26,30)/b17-12+
InChIKey RXAGSQRQGUYOFT-SFQUDFHCSA-N
Molecular Weight 487.368 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5341
Solvent DMSO-d6
Source Vendor ID: NMR/12318745