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(5E)-5-{[2,5-dimethyl-1-(1-naphthyl)-1H-pyrrol-3-yl]methylene}-1-methyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID F45xAC7tRnP
InChI InChI=1S/C22H19N3O2S/c1-13-11-16(12-18-20(26)23-22(28)24(3)21(18)27)14(2)25(13)19-10-6-8-15-7-4-5-9-17(15)19/h4-12H,1-3H3,(H,23,26,28)/b18-12+
InChIKey VFFUTXBYQYXFGX-LDADJPATSA-N
Mol Weight 389.47 g/mol
Molecular Formula C22H19N3O2S
Exact Mass 389.119798 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1li0Pw4Qi4B
Name (5E)-5-{[2,5-dimethyl-1-(1-naphthyl)-1H-pyrrol-3-yl]methylene}-1-methyl-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/C22H19N3O2S/c1-13-11-16(12-18-20(26)23-22(28)24(3)21(18)27)14(2)25(13)19-10-6-8-15-7-4-5-9-17(15)19/h4-12H,1-3H3,(H,23,26,28)/b18-12+
InChIKey VFFUTXBYQYXFGX-LDADJPATSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22832
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: D35871; Labnumber: SPDEM4-16730; SBI_ID: SBI-022836
Synonyms 5-{[2,5-dimethyl-1-(1-naphthyl)-1H-pyrrol-3-yl]methylene}-1-methyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C