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5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID BUn4fNfi4FY
InChI InChI=1S/C19H18N4O4S/c1-11-8-13(9-16-17(24)20(3)19(28)21(4)18(16)25)12(2)22(11)14-6-5-7-15(10-14)23(26)27/h5-10H,1-4H3
InChIKey AGIMKCSWOGGFKY-UHFFFAOYSA-N
Mol Weight 398.44 g/mol
Molecular Formula C19H18N4O4S
Exact Mass 398.104876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5DAgcItK4lP
Name 5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C19H18N4O4S/c1-11-8-13(9-16-17(24)20(3)19(28)21(4)18(16)25)12(2)22(11)14-6-5-7-15(10-14)23(26)27/h5-10H,1-4H3
InChIKey AGIMKCSWOGGFKY-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8037
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: 9686584; UBI_ID: UBI-008040
Temperature 308 °C