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5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 89U84ifQ6I1
InChI InChI=1S/C16H14N4O2S/c1-9-7-11(8-13-14(21)18-16(23)19-15(13)22)10(2)20(9)12-3-5-17-6-4-12/h3-8H,1-2H3,(H2,18,19,21,22,23)
InChIKey UDGDUWOPQJFCFU-UHFFFAOYSA-N
Mol Weight 326.37 g/mol
Molecular Formula C16H14N4O2S
Exact Mass 326.083747 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3Z8RKdWKgib
Name 5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-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/C16H14N4O2S/c1-9-7-11(8-13-14(21)18-16(23)19-15(13)22)10(2)20(9)12-3-5-17-6-4-12/h3-8H,1-2H3,(H2,18,19,21,22,23)
InChIKey UDGDUWOPQJFCFU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_660
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: UZI/1007635; UBI_ID: UBI-000661
Temperature 318 °C