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5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-1,3-diethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 9uKGibiLoir
InChI InChI=1S/C20H22N4O2S/c1-5-22-18(25)17(19(26)23(6-2)20(22)27)12-15-11-13(3)24(14(15)4)16-7-9-21-10-8-16/h7-12H,5-6H2,1-4H3
InChIKey NPRXKJUEPWBOJX-UHFFFAOYSA-N
Mol Weight 382.48 g/mol
Molecular Formula C20H22N4O2S
Exact Mass 382.146347 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5DXKDrqxnlx
Name 5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-1,3-diethyl-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/C20H22N4O2S/c1-5-22-18(25)17(19(26)23(6-2)20(22)27)12-15-11-13(3)24(14(15)4)16-7-9-21-10-8-16/h7-12H,5-6H2,1-4H3
InChIKey NPRXKJUEPWBOJX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7529
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: D48070; Labnumber: SPDEM5-38192; SBI_ID: SBI-007532
Temperature 318 °C