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

View entire compound with spectra: 1 NMR

3-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}-2-methylbenzoic acid
SpectraBase Compound ID 6COuFyqLDCH
InChI InChI=1S/C20H19N3O4S/c1-10-8-13(9-15-17(24)21-20(28)22(4)18(15)25)12(3)23(10)16-7-5-6-14(11(16)2)19(26)27/h5-9H,1-4H3,(H,26,27)(H,21,24,28)/b15-9+
InChIKey ORJMIJJVYBEJQQ-OQLLNIDSSA-N
Mol Weight 397.45 g/mol
Molecular Formula C20H19N3O4S
Exact Mass 397.109627 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LTAsuGPjZ95
Name 3-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}-2-methylbenzoic acid
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/C20H19N3O4S/c1-10-8-13(9-15-17(24)21-20(28)22(4)18(15)25)12(3)23(10)16-7-5-6-14(11(16)2)19(26)27/h5-9H,1-4H3,(H,26,27)(H,21,24,28)/b15-9+
InChIKey ORJMIJJVYBEJQQ-OQLLNIDSSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22805
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: D35834; Labnumber: SPDEM4-15263; SBI_ID: SBI-022809
Synonyms 3-{2,5-dimethyl-3-[(1-methyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}-2-methylbenzoic acid
Temperature 308 °C