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

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5-{[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID ZaLduE694U
InChI InChI=1S/C20H20N4O4S/c1-11-6-7-15(10-17(11)24(27)28)23-12(2)8-14(13(23)3)9-16-18(25)21(4)20(29)22(5)19(16)26/h6-10H,1-5H3
InChIKey PVWTVVXVTYMJHF-UHFFFAOYSA-N
Mol Weight 412.46 g/mol
Molecular Formula C20H20N4O4S
Exact Mass 412.120526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3HL5yN1DQIx
Name 5-{[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-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/C20H20N4O4S/c1-11-6-7-15(10-17(11)24(27)28)23-12(2)8-14(13(23)3)9-16-18(25)21(4)20(29)22(5)19(16)26/h6-10H,1-5H3
InChIKey PVWTVVXVTYMJHF-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8035
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: 9686779; UBI_ID: UBI-008038
Temperature 308 °C