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2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[[4-[(2-hydroxyethyl)sulfonyl]phenyl]amino]methylene]-
SpectraBase Compound ID DKWCVJhEHQ2
InChI InChI=1S/C13H13N3O6S/c17-5-6-23(21,22)9-3-1-8(2-4-9)14-7-10-11(18)15-13(20)16-12(10)19/h1-4,7,14,17H,5-6H2,(H2,15,16,18,19,20)
InChIKey CBJNAIXOEZLXEF-UHFFFAOYSA-N
Mol Weight 339.32 g/mol
Molecular Formula C13H13N3O6S
Exact Mass 339.052506 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EhQrFoizFdM
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[[4-[(2-hydroxyethyl)sulfonyl]phenyl]amino]methylene]-
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/C13H13N3O6S/c17-5-6-23(21,22)9-3-1-8(2-4-9)14-7-10-11(18)15-13(20)16-12(10)19/h1-4,7,14,17H,5-6H2,(H2,15,16,18,19,20)
InChIKey CBJNAIXOEZLXEF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_1589
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: AG-205/5057894; Labnumber: MAR1045; IOH_ID: IOH-008592