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4,6(1H,5H)-pyrimidinedione, dihydro-5-[(2-methoxy-5-nitrophenyl)methylene]-2-thioxo-
SpectraBase Compound ID KiTyZey4Y5s
InChI InChI=1S/C12H9N3O5S/c1-20-9-3-2-7(15(18)19)4-6(9)5-8-10(16)13-12(21)14-11(8)17/h2-5H,1H3,(H2,13,14,16,17,21)
InChIKey JHJWQGKGIFQZKO-UHFFFAOYSA-N
Mol Weight 307.28 g/mol
Molecular Formula C12H9N3O5S
Exact Mass 307.026292 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5ScKBNv4LR3
Name 4,6(1H,5H)-pyrimidinedione, dihydro-5-[(2-methoxy-5-nitrophenyl)methylene]-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/C12H9N3O5S/c1-20-9-3-2-7(15(18)19)4-6(9)5-8-10(16)13-12(21)14-11(8)17/h2-5H,1H3,(H2,13,14,16,17,21)
InChIKey JHJWQGKGIFQZKO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_2590
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-205/5111341; Labnumber: DK4-760; IOH_ID: IOH-009593