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methyl 3-{3-[(E)-(1-allyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate

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methyl 3-{3-[(E)-(1-allyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
SpectraBase Compound ID KIDAG0NU9lx
InChI InChI=1S/C22H21N3O4S/c1-5-9-24-20(27)18(19(26)23-22(24)30)12-16-10-13(2)25(14(16)3)17-8-6-7-15(11-17)21(28)29-4/h5-8,10-12H,1,9H2,2-4H3,(H,23,26,30)/b18-12+
InChIKey JDKSYXFYNBAIJL-LDADJPATSA-N
Mol Weight 423.49 g/mol
Molecular Formula C22H21N3O4S
Exact Mass 423.125277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8IiSZwxPEMl
Name methyl 3-{3-[(E)-(1-allyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
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/C22H21N3O4S/c1-5-9-24-20(27)18(19(26)23-22(24)30)12-16-10-13(2)25(14(16)3)17-8-6-7-15(11-17)21(28)29-4/h5-8,10-12H,1,9H2,2-4H3,(H,23,26,30)/b18-12+
InChIKey JDKSYXFYNBAIJL-LDADJPATSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10074
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: 1002462; UBI_ID: UBI-010077
Synonyms methyl 3-{3-[(1-allyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Temperature 315 °C