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(5Z)-1-(1,3-benzodioxol-5-yl)-5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 31Ud0m2anCs
InChI InChI=1S/C23H18N4O5/c1-13-8-15(14(2)26(13)17-4-3-7-24-11-17)9-18-21(28)25-23(30)27(22(18)29)16-5-6-19-20(10-16)32-12-31-19/h3-11H,12H2,1-2H3,(H,25,28,30)/b18-9-
InChIKey KCNGGPJSOGQYIP-NVMNQCDNSA-N
Mol Weight 430.42 g/mol
Molecular Formula C23H18N4O5
Exact Mass 430.12772 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ArJJVEnfpam
Name (5Z)-1-(1,3-benzodioxol-5-yl)-5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C23H18N4O5/c1-13-8-15(14(2)26(13)17-4-3-7-24-11-17)9-18-21(28)25-23(30)27(22(18)29)16-5-6-19-20(10-16)32-12-31-19/h3-11H,12H2,1-2H3,(H,25,28,30)/b18-9-
InChIKey KCNGGPJSOGQYIP-NVMNQCDNSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9651
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: 133665; Labnumber: AREF2K-2742; VK_ID: VK-009655
Synonyms 1-(1,3-benzodioxol-5-yl)-5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 315 °C