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4,6(1H,5H)-pyrimidinedione, 5-[[4-(dimethylamino)-3-nitrophenyl]methylene]dihydro-2-thioxo-
SpectraBase Compound ID 7pw11HvZjVC
InChI InChI=1S/C13H12N4O4S/c1-16(2)9-4-3-7(6-10(9)17(20)21)5-8-11(18)14-13(22)15-12(8)19/h3-6H,1-2H3,(H2,14,15,18,19,22)
InChIKey RPXAGJLSHZTZAL-UHFFFAOYSA-N
Mol Weight 320.32 g/mol
Molecular Formula C13H12N4O4S
Exact Mass 320.057926 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HgPOwYS3hTv
Name 4,6(1H,5H)-pyrimidinedione, 5-[[4-(dimethylamino)-3-nitrophenyl]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/C13H12N4O4S/c1-16(2)9-4-3-7(6-10(9)17(20)21)5-8-11(18)14-13(22)15-12(8)19/h3-6H,1-2H3,(H2,14,15,18,19,22)
InChIKey RPXAGJLSHZTZAL-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_4910
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/6011331; Labnumber: DK-5392; IOH_ID: IOH-011913