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(5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-methyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID BEUYW6ies1m
InChI InChI=1S/C18H16ClN3O2S/c1-10-8-12(9-15-16(23)20-18(25)21(3)17(15)24)11(2)22(10)14-6-4-13(19)5-7-14/h4-9H,1-3H3,(H,20,23,25)/b15-9-
InChIKey UJNKSQDMWJSNMU-DHDCSXOGSA-N
Mol Weight 373.86 g/mol
Molecular Formula C18H16ClN3O2S
Exact Mass 373.065176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID La1Yr7PrTMw
Name (5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-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/C18H16ClN3O2S/c1-10-8-12(9-15-16(23)20-18(25)21(3)17(15)24)11(2)22(10)14-6-4-13(19)5-7-14/h4-9H,1-3H3,(H,20,23,25)/b15-9-
InChIKey UJNKSQDMWJSNMU-DHDCSXOGSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4762
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: E10382; Labnumber: KKA-0212B-0358; SBI_ID: SBI-004764
Synonyms 5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-methyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C