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5-(3-chloro-5-ethoxy-4-hydroxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID EnMgnR4YlVf
InChI InChI=1S/C13H11ClN2O4S/c1-2-20-9-5-6(4-8(14)10(9)17)3-7-11(18)15-13(21)16-12(7)19/h3-5,17H,2H2,1H3,(H2,15,16,18,19,21)
InChIKey QLLVOJGQFBZDNR-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 B3kSdri4WlZ
Name 5-(3-chloro-5-ethoxy-4-hydroxybenzylidene)-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/c1-2-20-9-5-6(4-8(14)10(9)17)3-7-11(18)15-13(21)16-12(7)19/h3-5,17H,2H2,1H3,(H2,15,16,18,19,21)
InChIKey QLLVOJGQFBZDNR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16015
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/8061348; UBI_ID: UBI-016018
Temperature 308 °C