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(5E)-1-(4-bromophenyl)-5-(4-isopropoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5E)-1-(4-bromophenyl)-5-(4-isopropoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID CCIAYzRTGan
InChI InChI=1S/C20H17BrN2O3S/c1-12(2)26-16-9-3-13(4-10-16)11-17-18(24)22-20(27)23(19(17)25)15-7-5-14(21)6-8-15/h3-12H,1-2H3,(H,22,24,27)/b17-11+
InChIKey WCWFJGINEIMFHI-GZTJUZNOSA-N
Mol Weight 445.33 g/mol
Molecular Formula C20H17BrN2O3S
Exact Mass 444.014327 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3axuQefgRbi
Name (5E)-1-(4-bromophenyl)-5-(4-isopropoxybenzylidene)-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 444.014326586 u
Formula C20H17BrN2O3S
InChI InChI=1S/C20H17BrN2O3S/c1-12(2)26-16-9-3-13(4-10-16)11-17-18(24)22-20(27)23(19(17)25)15-7-5-14(21)6-8-15/h3-12H,1-2H3,(H,22,24,27)/b17-11+
InChIKey WCWFJGINEIMFHI-GZTJUZNOSA-N
Molecular Weight 445.331 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5333
Solvent DMSO-d6
Source Vendor ID: NMR/12318734