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5-(3-chloro-4,5-dimethoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 99kL4DGD0yn
InChI InChI=1S/C13H11ClN2O4S/c1-19-9-5-6(4-8(14)10(9)20-2)3-7-11(17)15-13(21)16-12(7)18/h3-5H,1-2H3,(H2,15,16,17,18,21)
InChIKey XLLGMTRMYLKRBF-UHFFFAOYSA-N
Mol Weight 326.75 g/mol
Molecular Formula C13H11ClN2O4S
Exact Mass 326.012806 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID SNgx5k20TE
Name 5-(3-chloro-4,5-dimethoxybenzylidene)-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/C13H11ClN2O4S/c1-19-9-5-6(4-8(14)10(9)20-2)3-7-11(17)15-13(21)16-12(7)18/h3-5H,1-2H3,(H2,15,16,17,18,21)
InChIKey XLLGMTRMYLKRBF-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5198
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: UZI/8129658; Labnumber: BMW-99777A; UZI_ID: UZI-005200
Temperature 308 °C