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(5Z)-1-benzyl-5-{[(3,5-dimethoxybenzyl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 7pXNar0woci
InChI InChI=1S/C21H21N3O4S/c1-27-16-8-15(9-17(10-16)28-2)11-22-12-18-19(25)23-21(29)24(20(18)26)13-14-6-4-3-5-7-14/h3-10,12,22H,11,13H2,1-2H3,(H,23,25,29)/b18-12-
InChIKey CQMDKYGLIFQIBA-PDGQHHTCSA-N
Mol Weight 411.48 g/mol
Molecular Formula C21H21N3O4S
Exact Mass 411.125277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E8kUOuWciFj
Name (5Z)-1-benzyl-5-{[(3,5-dimethoxybenzyl)amino]methylene}-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/C21H21N3O4S/c1-27-16-8-15(9-17(10-16)28-2)11-22-12-18-19(25)23-21(29)24(20(18)26)13-14-6-4-3-5-7-14/h3-10,12,22H,11,13H2,1-2H3,(H,23,25,29)/b18-12-
InChIKey CQMDKYGLIFQIBA-PDGQHHTCSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27607
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: D77232; Labnumber: KKA-0212C-1000; SBI_ID: SBI-027611
Synonyms 1-benzyl-5-{[(3,5-dimethoxybenzyl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C