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5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID GcWASh9UyBu
InChI InChI=1S/C17H14N4O4S/c1-9-6-11(7-14-15(22)18-17(26)19-16(14)23)10(2)20(9)12-4-3-5-13(8-12)21(24)25/h3-8H,1-2H3,(H2,18,19,22,23,26)
InChIKey GGHYGGXYCDTAMM-UHFFFAOYSA-N
Mol Weight 370.38 g/mol
Molecular Formula C17H14N4O4S
Exact Mass 370.073576 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2iW8xhzyjeb
Name 5-{[2,5-dimethyl-1-(3-nitrophenyl)-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/C17H14N4O4S/c1-9-6-11(7-14-15(22)18-17(26)19-16(14)23)10(2)20(9)12-4-3-5-13(8-12)21(24)25/h3-8H,1-2H3,(H2,18,19,22,23,26)
InChIKey GGHYGGXYCDTAMM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_21242
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/9682962; UBI_ID: UBI-021246
Temperature 318 °C