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4,6(1H,5H)-pyrimidinedione, dihydro-1-(4-methylphenyl)-2-thioxo-5-[(2,4,5-trimethoxyphenyl)methylene]-, (5E)-
SpectraBase Compound ID Lt1gVs4kJjV
InChI InChI=1S/C21H20N2O5S/c1-12-5-7-14(8-6-12)23-20(25)15(19(24)22-21(23)29)9-13-10-17(27-3)18(28-4)11-16(13)26-2/h5-11H,1-4H3,(H,22,24,29)/b15-9+
InChIKey CWKVDWJNNBHLIA-OQLLNIDSSA-N
Mol Weight 412.46 g/mol
Molecular Formula C21H20N2O5S
Exact Mass 412.109293 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dm8mG0MJ21p
Name 4,6(1H,5H)-pyrimidinedione, dihydro-1-(4-methylphenyl)-2-thioxo-5-[(2,4,5-trimethoxyphenyl)methylene]-, (5E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.109292921 u
Formula C21H20N2O5S
InChI InChI=1S/C21H20N2O5S/c1-12-5-7-14(8-6-12)23-20(25)15(19(24)22-21(23)29)9-13-10-17(27-3)18(28-4)11-16(13)26-2/h5-11H,1-4H3,(H,22,24,29)/b15-9+
InChIKey CWKVDWJNNBHLIA-OQLLNIDSSA-N
Molecular Weight 412.460 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6216
Solvent DMSO-d6
Source Vendor ID: NMR/9301146; Lab Info: LP; Lab Number: LP-1701136