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

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(5E)-1-allyl-5-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 5uvNv8zWZU3
InChI InChI=1S/C22H23N3O2S/c1-6-10-24-21(27)18(20(26)23-22(24)28)12-17-11-15(4)25(16(17)5)19-13(2)8-7-9-14(19)3/h6-9,11-12H,1,10H2,2-5H3,(H,23,26,28)/b18-12+
InChIKey AWCNONBOPHMXHX-LDADJPATSA-N
Mol Weight 393.51 g/mol
Molecular Formula C22H23N3O2S
Exact Mass 393.151098 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F4G4qWyDhdR
Name (5E)-1-allyl-5-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H23N3O2S/c1-6-10-24-21(27)18(20(26)23-22(24)28)12-17-11-15(4)25(16(17)5)19-13(2)8-7-9-14(19)3/h6-9,11-12H,1,10H2,2-5H3,(H,23,26,28)/b18-12+
InChIKey AWCNONBOPHMXHX-LDADJPATSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10088
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: 1002257; UBI_ID: UBI-010091
Synonyms 1-allyl-5-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 315 °C