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2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1,3-dimethyl-
SpectraBase Compound ID MWQCC6XUpZ
InChI InChI=1S/C14H11ClN2O5/c1-16-12(18)8(13(19)17(2)14(16)20)3-7-4-10-11(5-9(7)15)22-6-21-10/h3-5H,6H2,1-2H3
InChIKey XVFNYQJPVYXQSV-UHFFFAOYSA-N
Mol Weight 322.7 g/mol
Molecular Formula C14H11ClN2O5
Exact Mass 322.035649 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 39qtwiltMsm
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1,3-dimethyl-
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/C14H11ClN2O5/c1-16-12(18)8(13(19)17(2)14(16)20)3-7-4-10-11(5-9(7)15)22-6-21-10/h3-5H,6H2,1-2H3
InChIKey XVFNYQJPVYXQSV-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_1136
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/5128300; Labnumber: SADY-3067; IOH_ID: IOH-008138