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N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide

View entire compound with spectra: 1 NMR

N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide
SpectraBase Compound ID BOeMDUQzfEU
InChI InChI=1S/C20H20N4O3S/c1-11-9-14(10-17-18(26)22-20(28)23(4)19(17)27)12(2)24(11)16-7-5-15(6-8-16)21-13(3)25/h5-10H,1-4H3,(H,21,25)(H,22,26,28)/b17-10+
InChIKey GNWXDHWEYWYUQS-LICLKQGHSA-N
Mol Weight 396.47 g/mol
Molecular Formula C20H20N4O3S
Exact Mass 396.125612 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9VvvLqZ404o
Name N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide
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/C20H20N4O3S/c1-11-9-14(10-17-18(26)22-20(28)23(4)19(17)27)12(2)24(11)16-7-5-15(6-8-16)21-13(3)25/h5-10H,1-4H3,(H,21,25)(H,22,26,28)/b17-10+
InChIKey GNWXDHWEYWYUQS-LICLKQGHSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22806
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: D35835; Labnumber: SPDEM4-15269; SBI_ID: SBI-022810
Synonyms N-(4-{2,5-dimethyl-3-[(1-methyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide
Temperature 308 °C