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(5Z)-1-allyl-5-{[1-(5-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5Z)-1-allyl-5-{[1-(5-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 2roBRWkyjfe
InChI InChI=1S/C21H20ClN3O2S/c1-5-8-24-20(27)17(19(26)23-21(24)28)10-15-9-13(3)25(14(15)4)18-11-16(22)7-6-12(18)2/h5-7,9-11H,1,8H2,2-4H3,(H,23,26,28)/b17-10-
InChIKey XECIHHGFGOXLOU-YVLHZVERSA-N
Mol Weight 413.92 g/mol
Molecular Formula C21H20ClN3O2S
Exact Mass 413.096476 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ViWVxbwFBY
Name (5Z)-1-allyl-5-{[1-(5-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-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/C21H20ClN3O2S/c1-5-8-24-20(27)17(19(26)23-21(24)28)10-15-9-13(3)25(14(15)4)18-11-16(22)7-6-12(18)2/h5-7,9-11H,1,8H2,2-4H3,(H,23,26,28)/b17-10-
InChIKey XECIHHGFGOXLOU-YVLHZVERSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1508
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: C96361; Labnumber: SPDEM2-6009; SBI_ID: SBI-001510
Synonyms 1-allyl-5-{[1-(5-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C