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4,6(1H,5H)-pyrimidinedione, 5-[(1,3-benzodioxol-5-ylamino)methylene]-1-(3-chlorophenyl)dihydro-2-thioxo-, (5E)-
SpectraBase Compound ID y78VbGSTYZ
InChI InChI=1S/C18H12ClN3O4S/c19-10-2-1-3-12(6-10)22-17(24)13(16(23)21-18(22)27)8-20-11-4-5-14-15(7-11)26-9-25-14/h1-8,20H,9H2,(H,21,23,27)/b13-8+
InChIKey NYUZTVDRDCJWCF-MDWZMJQESA-N
Mol Weight 401.82 g/mol
Molecular Formula C18H12ClN3O4S
Exact Mass 401.023705 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3Yhns1LDyNv
Name 4,6(1H,5H)-pyrimidinedione, 5-[(1,3-benzodioxol-5-ylamino)methylene]-1-(3-chlorophenyl)dihydro-2-thioxo-, (5E)-
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/C18H12ClN3O4S/c19-10-2-1-3-12(6-10)22-17(24)13(16(23)21-18(22)27)8-20-11-4-5-14-15(7-11)26-9-25-14/h1-8,20H,9H2,(H,21,23,27)/b13-8+
InChIKey NYUZTVDRDCJWCF-MDWZMJQESA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_4876
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: NMR/12211135; Labnumber: LP-1709116