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2(3H)-pyrimidinone, 4-[(E)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-6-hydroxy-5-nitro-
SpectraBase Compound ID 9YUNkLMvKnQ
InChI InChI=1S/C13H8ClN3O6/c14-7-4-10-9(22-5-23-10)3-6(7)1-2-8-11(17(20)21)12(18)16-13(19)15-8/h1-4H,5H2,(H2,15,16,18,19)/b2-1+
InChIKey ZXTFXPZNKOVQSK-OWOJBTEDSA-N
Mol Weight 337.68 g/mol
Molecular Formula C13H8ClN3O6
Exact Mass 337.010163 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4yaVQbo4VYn
Name 2(3H)-pyrimidinone, 4-[(E)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-6-hydroxy-5-nitro-
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/C13H8ClN3O6/c14-7-4-10-9(22-5-23-10)3-6(7)1-2-8-11(17(20)21)12(18)16-13(19)15-8/h1-4H,5H2,(H2,15,16,18,19)/b2-1+
InChIKey ZXTFXPZNKOVQSK-OWOJBTEDSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_1137
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: ZI/5129814; Labnumber: SADY-3061; IOH_ID: IOH-008139