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4,6(1H,5H)-pyrimidinedione, 5-[(2,3-dihydro-1,3-dimethyl-2-oxo-1H-benzimidazol-5-yl)methylene]dihydro-2-thioxo-
SpectraBase Compound ID LLfrOpajF7W
InChI InChI=1S/C14H12N4O3S/c1-17-9-4-3-7(6-10(9)18(2)14(17)21)5-8-11(19)15-13(22)16-12(8)20/h3-6H,1-2H3,(H2,15,16,19,20,22)
InChIKey IEMMGOSTRULSHH-UHFFFAOYSA-N
Mol Weight 316.33 g/mol
Molecular Formula C14H12N4O3S
Exact Mass 316.063011 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 15DIjfNiu88
Name 4,6(1H,5H)-pyrimidinedione, 5-[(2,3-dihydro-1,3-dimethyl-2-oxo-1H-benzimidazol-5-yl)methylene]dihydro-2-thioxo-
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/C14H12N4O3S/c1-17-9-4-3-7(6-10(9)18(2)14(17)21)5-8-11(19)15-13(22)16-12(8)20/h3-6H,1-2H3,(H2,15,16,19,20,22)
InChIKey IEMMGOSTRULSHH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_6934
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: SAD/Z00B245; IOH_ID: IOH-013938