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(5E)-1-allyl-5-{[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5E)-1-allyl-5-{[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID L8VXwF9QtnA
InChI InChI=1S/C21H20N4O4S/c1-5-8-23-20(27)17(19(26)22-21(23)30)10-15-9-13(3)24(14(15)4)16-7-6-12(2)18(11-16)25(28)29/h5-7,9-11H,1,8H2,2-4H3,(H,22,26,30)/b17-10+
InChIKey HDXRNUWTWVOVGA-LICLKQGHSA-N
Mol Weight 424.48 g/mol
Molecular Formula C21H20N4O4S
Exact Mass 424.120526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EfNRWQa3uri
Name (5E)-1-allyl-5-{[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)-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/C21H20N4O4S/c1-5-8-23-20(27)17(19(26)22-21(23)30)10-15-9-13(3)24(14(15)4)16-7-6-12(2)18(11-16)25(28)29/h5-7,9-11H,1,8H2,2-4H3,(H,22,26,30)/b17-10+
InChIKey HDXRNUWTWVOVGA-LICLKQGHSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10083
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: 1000551; UBI_ID: UBI-010086
Synonyms 1-allyl-5-{[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 315 °C